6-phenylpyrimidine-4-carboxylic acid

C11H8N2O2 — CID 12582972

IUPAC6-phenylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyWPZVBDSJGHLIMS-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.84
Rot. Bonds2

About 6-phenylpyrimidine-4-carboxylic acid

6-phenylpyrimidine-4-carboxylic acid (PubChem CID 12582972) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 6-phenylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-phenylpyrimidine-4-carboxylic acid
PubChem CID12582972
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name6-phenylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)ncn1
InChIInChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChIKeyWPZVBDSJGHLIMS-UHFFFAOYSA-N
XLogP1.84
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,8-Naphthyridine-2-carboxylic acid
CID 735156
6-(3-Chlorophenyl)pyrimidine-4-carboxylic acid
CID 44632919
6-(3,4-Dichlorophenyl)pyrimidine-4-carboxylic acid
CID 44633034
6-(3-Chloro-2-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 44633650
6-(3,4-Difluorophenyl)pyrimidine-4-carboxylic acid
CID 67218051
6-(3-Chloro-4-fluorophenyl)-4-pyrimidinecarboxylic acid
CID 67218064
6-(3-Fluorophenyl)pyrimidine-4-carboxylic acid
CID 67218312
6-(3-Chloro-4-methylphenyl)-4-pyrimidinecarboxylic acid
CID 67218735
6-(4-Chloro-3-fluorophenyl)pyrimidine-4-carboxylic acid
CID 71282673
6-(3-Fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 71282761
2-Methylquinazoline-4-carboxylic acid
CID 362511
6-(3,4-Dichlorophenyl)-2-methylpyrimidine-4-carboxylic acid
CID 24277353

Frequently Asked Questions

What is the IUPAC name of 6-phenylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-phenylpyrimidine-4-carboxylic acid (CID 12582972) is 6-phenylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-phenylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-phenylpyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)ncn1.
What is the InChIKey of 6-phenylpyrimidine-4-carboxylic acid?
The InChIKey is WPZVBDSJGHLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-11(15)10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15).
What are the key properties of 6-phenylpyrimidine-4-carboxylic acid?
6-phenylpyrimidine-4-carboxylic acid has a molecular weight of 200.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 12582972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).