5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile

C15H6ClF2N3O — CID 167456031

IUPAC5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(=O)c3c(F)cc(F)cc3[nH]2)c(Cl)cn1
InChIInChI=1S/C15H6ClF2N3O/c16-10-6-20-8(5-19)3-9(10)12-4-14(22)15-11(18)1-7(17)2-13(15)21-12/h1-4,6H,(H,21,22)
InChIKeyUSKPWZKQNFLVPT-UHFFFAOYSA-N
MW317.68 g/mol
LogP3.39
Rot. Bonds1

About 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile

5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile (PubChem CID 167456031) has the molecular formula C15H6ClF2N3O and a molecular weight of 317.68 g/mol. Its IUPAC name is 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile
PubChem CID167456031
Molecular FormulaC15H6ClF2N3O
Molecular Weight317.68 g/mol
Exact Mass317.02
IUPAC Name5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2cc(=O)c3c(F)cc(F)cc3[nH]2)c(Cl)cn1
InChIInChI=1S/C15H6ClF2N3O/c16-10-6-20-8(5-19)3-9(10)12-4-14(22)15-11(18)1-7(17)2-13(15)21-12/h1-4,6H,(H,21,22)
InChIKeyUSKPWZKQNFLVPT-UHFFFAOYSA-N
XLogP3.39
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.68
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-5-fluoro-4-oxo-1H-quinolin-2-yl)-5-methylpyridine-2-carbonitrile
CID 177106956
2-(2-chloro-5-iodo-3-pyridinyl)-5,7-difluoro-1H-quinolin-4-one
CID 167456017
4-chloro-3-(5,6,7-trifluoro-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916772
3-(7-chloro-5-fluoro-4-oxo-1H-quinolin-2-yl)-4-methylsulfanylbenzonitrile
CID 169299375
4-chloro-3-(5,7-difluoro-6-methyl-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916746
3-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)-4-(2-methylpropylsulfonyl)benzonitrile
CID 169299387
5-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 107370193
4-chloro-3-[5,7-difluoro-6-(methoxymethyl)-4-oxo-1H-quinolin-2-yl]benzonitrile
CID 164916750
5-(2-chloro-4,6-difluoroanilino)pyridine-2-carbonitrile
CID 83087655
2-(4-tert-butyl-2-methylphenyl)-7-fluoro-4-oxo-1H-quinoline-5-carbonitrile
CID 169256867
4-chloro-3-(5,7-difluoro-4-oxo-6-piperazin-1-yl-1H-quinolin-2-yl)benzonitrile
CID 164916800
4-chloro-3-(5,7-difluoro-6-morpholin-4-yl-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile (CID 167456031) is 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile is N#Cc1cc(-c2cc(=O)c3c(F)cc(F)cc3[nH]2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile?
The InChIKey is USKPWZKQNFLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF2N3O/c16-10-6-20-8(5-19)3-9(10)12-4-14(22)15-11(18)1-7(17)2-13(15)21-12/h1-4,6H,(H,21,22).
What are the key properties of 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile?
5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile has a molecular weight of 317.68 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5,7-difluoro-4-oxo-1H-quinolin-2-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 167456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).