Cas no 54569-85-6 ( )
structure
Product Name:
CAS No:54569-85-6
MF:C16H11N3
MW:245.278642892838
CID:942002
PubChem ID:330425
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11830326
- 3-(Pyridin-4-yl)-2H-benzo[g]indazole
- AKOS024335710
- NSC-319018
- NSC319018
- 3-(Pyridin-4-yl)-1H-benzo[g]indazole
- 200431-50-1
- 3-(4-PYRIDYL)-2H-BENZ(G)INDAZOLE
- 54569-85-6
- 3-(4-pyridyl)-2H-naphtho[1,2-c]pyrazole
- KQMIKXSVZLLPSY-UHFFFAOYSA-N
- DTXSID70317591
-
-
- Inchi： 1S/C16H11N3/c1-2-4-13-11(3-1)5-6-14-15(18-19-16(13)14)12-7-9-17-10-8-12/h1-10H,(H,18,19)
- InChI Key： KQMIKXSVZLLPSY-UHFFFAOYSA-N
- SMILES： N1C2C3C=CC=CC=3C=CC=2C(C2C=CN=CC=2)=N1
Computed Properties
- Exact Mass: 245.09543
- Monoisotopic Mass: 245.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 313
- 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: 3.4
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- Density: 1.306
- Boiling Point: 512°C at 760 mmHg
- Flash Point: 243.2°C
- Refractive Index: 1.758
- PSA: 41.57
Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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