2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C13H7ClN4O2 — CID 169393277

IUPAC2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C13H7ClN4O2/c14-10-3-6(19)1-2-7(10)11-8(4-15)12(17)18-13(20)9(11)5-16/h1-3,19H,(H3,17,18,20)
InChIKeyHGZAILCLCXJSQI-UHFFFAOYSA-N
MW286.68 g/mol
LogP1.73
Rot. Bonds1

About 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393277) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393277
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Name2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(O)cc1Cl
InChIInChI=1S/C13H7ClN4O2/c14-10-3-6(19)1-2-7(10)11-8(4-15)12(17)18-13(20)9(11)5-16/h1-3,19H,(H3,17,18,20)
InChIKeyHGZAILCLCXJSQI-UHFFFAOYSA-N
XLogP1.73
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395296
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394090
2-amino-4-[3-(3-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393913
2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395243
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394270
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599
4-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl]-2-chlorobenzoic acid
CID 169394294
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393025
2-amino-4-(2-hydroxy-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169392987

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393277) is 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(O)cc1Cl.
What is the InChIKey of 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is HGZAILCLCXJSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c14-10-3-6(19)1-2-7(10)11-8(4-15)12(17)18-13(20)9(11)5-16/h1-3,19H,(H3,17,18,20).
What are the key properties of 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 286.68 g/mol, XLogP of 1.73, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).