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

C14H9ClN4O2 — CID 169395296

IUPAC2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(Cl)ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O
InChIInChI=1S/C14H9ClN4O2/c1-6-10(15)3-2-7(12(6)20)11-8(4-16)13(18)19-14(21)9(11)5-17/h2-3,20H,1H3,(H3,18,19,21)
InChIKeyDDPVUBYFSCPVEV-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.03
Rot. Bonds1

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

2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395296) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395296
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1c(Cl)ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O
InChIInChI=1S/C14H9ClN4O2/c1-6-10(15)3-2-7(12(6)20)11-8(4-16)13(18)19-14(21)9(11)5-17/h2-3,20H,1H3,(H3,18,19,21)
InChIKeyDDPVUBYFSCPVEV-UHFFFAOYSA-N
XLogP2.03
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(2-chloro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393277
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-amino-4-(3-cyano-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395729
2-amino-4-(5-tert-butyl-2-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394090
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-[2-(4-hydroxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393911
2-amino-4-(2,6-dichloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395243
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599
2-amino-4-[4-(diethylamino)-2-hydroxyphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393025
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[4-(3,5-dichlorophenyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394270
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395296) is 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1c(Cl)ccc(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1O.
What is the InChIKey of 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is DDPVUBYFSCPVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c1-6-10(15)3-2-7(12(6)20)11-8(4-16)13(18)19-14(21)9(11)5-17/h2-3,20H,1H3,(H3,18,19,21).
What are the key properties of 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 300.71 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).