2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid

C11H5Cl3N2O2 — CID 118830549

IUPAC2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2c(Cl)cc(Cl)cc2Cl)nc1
InChIInChI=1S/C11H5Cl3N2O2/c12-6-1-7(13)9(8(14)2-6)10-15-3-5(4-16-10)11(17)18/h1-4H,(H,17,18)
InChIKeyFTOCRSHVOHEHCB-UHFFFAOYSA-N
MW303.53 g/mol
LogP3.80
Rot. Bonds2

About 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid

2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid (PubChem CID 118830549) has the molecular formula C11H5Cl3N2O2 and a molecular weight of 303.53 g/mol. Its IUPAC name is 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
PubChem CID118830549
Molecular FormulaC11H5Cl3N2O2
Molecular Weight303.53 g/mol
Exact Mass301.94
IUPAC Name2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2c(Cl)cc(Cl)cc2Cl)nc1
InChIInChI=1S/C11H5Cl3N2O2/c12-6-1-7(13)9(8(14)2-6)10-15-3-5(4-16-10)11(17)18/h1-4H,(H,17,18)
InChIKeyFTOCRSHVOHEHCB-UHFFFAOYSA-N
XLogP3.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic 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-[2-(2,4,6-trichlorophenyl)pyrimidin-5-yl]acetic acid
CID 118824949
2-(2,5-dichloro-4-pyridinyl)pyrimidine-5-carboxylic acid
CID 71742726
5-chloro-6-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 29295941
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
2-(3-chloro-4-methylphenyl)pyrimidine-5-carboxylic acid
CID 24903647
2-(2,3,4-trichlorophenyl)pyrimidine-5-carboxylic acid
CID 118824968
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
3-hydroxy-5-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133092347
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
6-chloroquinoline-3-carboxylic acid
CID 14241492
2-aminopyrimidine-5-carboxylic acid
CID 7020367

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid (CID 118830549) is 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2c(Cl)cc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid?
The InChIKey is FTOCRSHVOHEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O2/c12-6-1-7(13)9(8(14)2-6)10-15-3-5(4-16-10)11(17)18/h1-4H,(H,17,18).
What are the key properties of 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid?
2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid has a molecular weight of 303.53 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trichlorophenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 118830549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).