6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid

C12H10N2O3 — CID 22831615

IUPAC6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ncn2)cc1
InChIInChI=1S/C12H10N2O3/c1-17-9-4-2-8(3-5-9)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyVWDUAMCLXCMAEK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid

6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid (PubChem CID 22831615) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
PubChem CID22831615
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)ncn2)cc1
InChIInChI=1S/C12H10N2O3/c1-17-9-4-2-8(3-5-9)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16)
InChIKeyVWDUAMCLXCMAEK-UHFFFAOYSA-N
XLogP1.85
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid (CID 22831615) is 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)ncn2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
The InChIKey is VWDUAMCLXCMAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-9-4-2-8(3-5-9)10-6-11(12(15)16)14-7-13-10/h2-7H,1H3,(H,15,16).
What are the key properties of 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid?
6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 22831615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).