2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid

C15H9ClN4O4 — CID 169394440

IUPAC2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C15H9ClN4O4/c16-7-1-2-11(24-6-12(21)22)8(3-7)13-9(4-17)14(19)20-15(23)10(13)5-18/h1-3H,6H2,(H,21,22)(H3,19,20,23)
InChIKeyLRVNJTQWZRBWEA-UHFFFAOYSA-N
MW344.71 g/mol
LogP1.48
Rot. Bonds4

About 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid

2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid (PubChem CID 169394440) has the molecular formula C15H9ClN4O4 and a molecular weight of 344.71 g/mol. Its IUPAC name is 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
PubChem CID169394440
Molecular FormulaC15H9ClN4O4
Molecular Weight344.71 g/mol
Exact Mass344.03
IUPAC Name2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C15H9ClN4O4/c16-7-1-2-11(24-6-12(21)22)8(3-7)13-9(4-17)14(19)20-15(23)10(13)5-18/h1-3H,6H2,(H,21,22)(H3,19,20,23)
InChIKeyLRVNJTQWZRBWEA-UHFFFAOYSA-N
XLogP1.48
TPSA152.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid 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-butoxy-5-chlorophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393559
2-amino-4-[5-chloro-2-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394382
2-amino-4-(5-chloro-2-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393229
2-amino-4-[5-chloro-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394376
ethyl 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]acetate
CID 169393682
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-bromophenoxy]-N-(4-methylphenyl)acetamide
CID 169395130
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-methoxybenzoic acid
CID 169394934
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-6-methoxy-4-nitrophenoxy]acetic acid
CID 169394528
2-amino-4-[5-bromo-2-(3-cyanopropoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394959
2-amino-4-(5-methoxy-2-prop-2-ynoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394443
2-amino-4-[5-bromo-2-(4-cyanobutoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid?
The IUPAC name of 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid (CID 169394440) is 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid.
What is the SMILES notation for 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid?
The canonical SMILES for 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1cc(Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid?
The InChIKey is LRVNJTQWZRBWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O4/c16-7-1-2-11(24-6-12(21)22)8(3-7)13-9(4-17)14(19)20-15(23)10(13)5-18/h1-3H,6H2,(H,21,22)(H3,19,20,23).
What are the key properties of 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid?
2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid has a molecular weight of 344.71 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-4-chlorophenoxy]acetic acid is sourced from PubChem (CID 169394440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).