2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid

C11H7ClN2O3 — CID 53222416

IUPAC2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cnc(=O)[nH]c2)ccc1Cl
InChIInChI=1S/C11H7ClN2O3/c12-9-2-1-6(3-8(9)10(15)16)7-4-13-11(17)14-5-7/h1-5H,(H,15,16)(H,13,14,17)
InChIKeyDLYCQEUGGPCTNS-UHFFFAOYSA-N
MW250.64 g/mol
LogP1.79
Rot. Bonds2

About 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid

2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid (PubChem CID 53222416) has the molecular formula C11H7ClN2O3 and a molecular weight of 250.64 g/mol. Its IUPAC name is 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
PubChem CID53222416
Molecular FormulaC11H7ClN2O3
Molecular Weight250.64 g/mol
Exact Mass250.01
IUPAC Name2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cnc(=O)[nH]c2)ccc1Cl
InChIInChI=1S/C11H7ClN2O3/c12-9-2-1-6(3-8(9)10(15)16)7-4-13-11(17)14-5-7/h1-5H,(H,15,16)(H,13,14,17)
InChIKeyDLYCQEUGGPCTNS-UHFFFAOYSA-N
XLogP1.79
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic 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

5-(3-carbamoyl-4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53224202
5-(4-chloro-3-methylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223518
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
CID 146525132
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
5-chloro-2-(4-fluorophenyl)pyridine-4-carboxylic acid
CID 46313816
5-(4-chlorophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 10014975
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
5-(2-acetylphenyl)-1H-pyrimidin-2-one
CID 105467489
5-(2-tert-butylpyrimidin-4-yl)-2-chlorobenzoic acid
CID 54775382
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid (CID 53222416) is 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid is O=C(O)c1cc(-c2cnc(=O)[nH]c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid?
The InChIKey is DLYCQEUGGPCTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3/c12-9-2-1-6(3-8(9)10(15)16)7-4-13-11(17)14-5-7/h1-5H,(H,15,16)(H,13,14,17).
What are the key properties of 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid?
2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid has a molecular weight of 250.64 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-oxo-1H-pyrimidin-5-yl)benzoic acid is sourced from PubChem (CID 53222416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).