6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile

C15H8ClN3O — CID 178155299

IUPAC6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(=O)c2c[nH]c3c(Cl)cccc23)n1
InChIInChI=1S/C15H8ClN3O/c16-12-5-2-4-10-11(8-18-14(10)12)15(20)13-6-1-3-9(7-17)19-13/h1-6,8,18H
InChIKeyAVJPGYPWYJWHGZ-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.32
Rot. Bonds2

About 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile

6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile (PubChem CID 178155299) has the molecular formula C15H8ClN3O and a molecular weight of 281.70 g/mol. Its IUPAC name is 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile
PubChem CID178155299
Molecular FormulaC15H8ClN3O
Molecular Weight281.70 g/mol
Exact Mass281.04
IUPAC Name6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C(=O)c2c[nH]c3c(Cl)cccc23)n1
InChIInChI=1S/C15H8ClN3O/c16-12-5-2-4-10-11(8-18-14(10)12)15(20)13-6-1-3-9(7-17)19-13/h1-6,8,18H
InChIKeyAVJPGYPWYJWHGZ-UHFFFAOYSA-N
XLogP3.32
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1H-indol-3-yl)-(2-chlorophenyl)methanone
CID 103474468
(7-chloro-1H-indol-3-yl)-(2-methoxyphenyl)methanone
CID 103474392
(2-amino-5-chlorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475626
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
(7-chloro-1H-indol-3-yl)-(2,5-dimethylphenyl)methanone
CID 103474439
(7-chloro-1H-indol-3-yl)-(3-chloro-5-methylphenyl)methanone
CID 103474297
(2-amino-5-fluorophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475589
(7-chloro-1H-indol-3-yl)-(4-fluoro-2-methylphenyl)methanone
CID 103474322
methyl 2-(7-cyano-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 147153796
(3-bromo-4-methoxyphenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103474352
(3-amino-4-bromophenyl)-(7-chloro-1H-indol-3-yl)methanone
CID 103475637
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile (CID 178155299) is 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile is N#Cc1cccc(C(=O)c2c[nH]c3c(Cl)cccc23)n1.
What is the InChIKey of 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile?
The InChIKey is AVJPGYPWYJWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O/c16-12-5-2-4-10-11(8-18-14(10)12)15(20)13-6-1-3-9(7-17)19-13/h1-6,8,18H.
What are the key properties of 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile?
6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile has a molecular weight of 281.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indole-3-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 178155299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).