Cas no 1345828-16-1 (tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate)
![tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate structure](https://ossimg.kuujia.com/scimg/1346000/1345828-16-1x500.png)
1345828-16-1 structure
Product Name:tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
CAS No:1345828-16-1
MF:C12H12ClIN2O2
MW:378.593354225159
CID:6833620
PubChem ID:145711133
Update Time:2025-04-03
tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- A1-32018
- tert-Butyl6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- SCHEMBL21589072
- tert-Butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- 1345828-16-1
- tert-butyl 6-chloro-3-iodopyrrolo[2,3-b]pyridine-1-carboxylate
- tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
-
- Inchi： 1S/C12H12ClIN2O2/c1-12(2,3)18-11(17)16-6-8(14)7-4-5-9(13)15-10(7)16/h4-6H,1-3H3
- InChI Key： ZGAUDASCRAOGAE-UHFFFAOYSA-N
- SMILES： IC1=CN(C(=O)OC(C)(C)C)C2C1=CC=C(N=2)Cl
Computed Properties
- Exact Mass: 377.96320Da
- Monoisotopic Mass: 377.96320Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 44.1?2
tert-butyl 6-chloro-3-iodo-1H-pyrrolo[2,3-b]pyridine-1-carboxylate Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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