6-(3-phenylphenyl)pyrimidine-4-carboxylic acid

C17H12N2O2 — CID 71282803

IUPAC6-(3-phenylphenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)ncn1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-10-15(18-11-19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyOVVVNOOLXDNLEG-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.51
Rot. Bonds3

About 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid

6-(3-phenylphenyl)pyrimidine-4-carboxylic acid (PubChem CID 71282803) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-phenylphenyl)pyrimidine-4-carboxylic acid
PubChem CID71282803
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name6-(3-phenylphenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(-c3ccccc3)c2)ncn1
InChIInChI=1S/C17H12N2O2/c20-17(21)16-10-15(18-11-19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,20,21)
InChIKeyOVVVNOOLXDNLEG-UHFFFAOYSA-N
XLogP3.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid (CID 71282803) is 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(-c3ccccc3)c2)ncn1.
What is the InChIKey of 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is OVVVNOOLXDNLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-17(21)16-10-15(18-11-19-16)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11H,(H,20,21).
What are the key properties of 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid?
6-(3-phenylphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 71282803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).