Cas no 649557-64-2 (3-Pyridinecarboxylicacid, 6-(5-chloro-2-thienyl)-)
649557-64-2 structure
Product Name:3-Pyridinecarboxylicacid, 6-(5-chloro-2-thienyl)-
CAS No:649557-64-2
MF:C10H6ClNO2S
MW:239.678140163422
CID:500214
PubChem ID:57352128
Update Time:2025-04-19
3-Pyridinecarboxylicacid, 6-(5-chloro-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylicacid, 6-(5-chloro-2-thienyl)-
- 6-(5-Acetylthiophen-2-yl)-nicotinic acid
- 6-(5-chloro-2-thienyl)-3-pyridinecarboxylic acid
- 6-(5-Chlorothiophen-2-yl)-nicotinic acid
- 6-(5-Formylthiophen-2-yl)-nicotinic acid
- 649557-64-2
- SCHEMBL2247282
-
- Inchi： 1S/C10H6ClNO2S/c11-9-4-3-8(15-9)7-2-1-6(5-12-7)10(13)14/h1-5H,(H,13,14)
- InChI Key： VNKUVYOLVPTXLQ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C2C=CC(C(=O)O)=CN=2)S1
Computed Properties
- Exact Mass: 247.03000
- Monoisotopic Mass: 238.9807773g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 252
- 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: 2.7
- Topological Polar Surface Area: 78.4?2
Experimental Properties
- PSA: 95.50000
- LogP: 2.71090
3-Pyridinecarboxylicacid, 6-(5-chloro-2-thienyl)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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