4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile

C13H6ClFN4O2 — CID 12040850

IUPAC4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile
SMILESN#Cc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1O
InChIInChI=1S/C13H6ClFN4O2/c14-8-1-2-12-17-19(13(21)18(12)6-8)10-4-11(20)7(5-16)3-9(10)15/h1-4,6,20H
InChIKeyLBENQVYONODUGX-UHFFFAOYSA-N
MW304.67 g/mol
LogP1.85
Rot. Bonds1

About 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile

4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile (PubChem CID 12040850) has the molecular formula C13H6ClFN4O2 and a molecular weight of 304.67 g/mol. Its IUPAC name is 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile
PubChem CID12040850
Molecular FormulaC13H6ClFN4O2
Molecular Weight304.67 g/mol
Exact Mass304.02
IUPAC Name4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile
SMILESN#Cc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1O
InChIInChI=1S/C13H6ClFN4O2/c14-8-1-2-12-17-19(13(21)18(12)6-8)10-4-11(20)7(5-16)3-9(10)15/h1-4,6,20H
InChIKeyLBENQVYONODUGX-UHFFFAOYSA-N
XLogP1.85
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile with MolForge

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Related Compounds

3-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-4-fluorobenzoic acid
CID 141051319
N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]-N-prop-2-ynylethanesulfonamide
CID 12040825
4-[4-(dimethylamino)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-2,5-difluorobenzonitrile
CID 22078108
2,5-difluoro-4-[3-methyl-4-(methylamino)-5-oxo-1,2,4-triazol-1-yl]benzonitrile
CID 22078110
2,5-difluoro-4-(5-methyl-3-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-2-yl)benzonitrile
CID 12040809
4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-2,5-difluorobenzonitrile
CID 14699629
1-(4-chloro-2-fluorophenyl)-3-cyanopyrrole-2-carboxylic acid
CID 42782225
5-amino-1-(5-chloro-2-fluorophenyl)pyrazole-4-carbonitrile
CID 122131474
2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzonitrile
CID 18199844
2,5-difluoro-4-(4-methyl-6-oxopyridazin-1-yl)benzonitrile
CID 22235236
4-[5-chloro-4-(dimethylamino)-6-oxopyridazin-1-yl]-2,5-difluorobenzonitrile
CID 22235227
7-chloro-2-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 83401967

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile?
The IUPAC name of 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile (CID 12040850) is 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile?
The canonical SMILES for 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile is N#Cc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1O.
What is the InChIKey of 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile?
The InChIKey is LBENQVYONODUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClFN4O2/c14-8-1-2-12-17-19(13(21)18(12)6-8)10-4-11(20)7(5-16)3-9(10)15/h1-4,6,20H.
What are the key properties of 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile?
4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile has a molecular weight of 304.67 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-5-fluoro-2-hydroxybenzonitrile is sourced from PubChem (CID 12040850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).