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

C14H9BrN4O3 — CID 169393111

IUPAC2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1O
InChIInChI=1S/C14H9BrN4O3/c1-22-11-3-9(15)6(2-10(11)20)12-7(4-16)13(18)19-14(21)8(12)5-17/h2-3,20H,1H3,(H3,18,19,21)
InChIKeyLTOPYZHRYFDRCR-UHFFFAOYSA-N
MW361.16 g/mol
LogP1.84
Rot. Bonds2

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

2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393111) has the molecular formula C14H9BrN4O3 and a molecular weight of 361.16 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393111
Molecular FormulaC14H9BrN4O3
Molecular Weight361.16 g/mol
Exact Mass359.99
IUPAC Name2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1O
InChIInChI=1S/C14H9BrN4O3/c1-22-11-3-9(15)6(2-10(11)20)12-7(4-16)13(18)19-14(21)8(12)5-17/h2-3,20H,1H3,(H3,18,19,21)
InChIKeyLTOPYZHRYFDRCR-UHFFFAOYSA-N
XLogP1.84
TPSA135.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.16
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-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-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]ethyl acetate
CID 169395184
4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168587650
2-amino-4-(2-bromo-4-butoxy-5-ethoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395066
2-[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-5-bromo-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 169395075
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
CID 169394934
2-amino-4-(2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393288
2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
2-amino-4-(3-bromo-5-chloro-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394477
2-amino-4-[3-bromo-2-hydroxy-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395964
2-amino-4-[2-methoxy-5-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393218

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393111) is 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is COc1cc(Br)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)cc1O.
What is the InChIKey of 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is LTOPYZHRYFDRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O3/c1-22-11-3-9(15)6(2-10(11)20)12-7(4-16)13(18)19-14(21)8(12)5-17/h2-3,20H,1H3,(H3,18,19,21).
What are the key properties of 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 361.16 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).