5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid

C12H10N2O3 — CID 84736136

IUPAC5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(C(=O)O)nc2)c1
InChIInChI=1S/C12H10N2O3/c1-17-10-4-2-3-8(5-10)9-6-13-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16)
InChIKeyRKZWFUISLAHCJK-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.85
Rot. Bonds3

About 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid

5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid (PubChem CID 84736136) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid
PubChem CID84736136
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid
SMILESCOc1cccc(-c2cnc(C(=O)O)nc2)c1
InChIInChI=1S/C12H10N2O3/c1-17-10-4-2-3-8(5-10)9-6-13-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16)
InChIKeyRKZWFUISLAHCJK-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 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid (CID 84736136) is 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid is COc1cccc(-c2cnc(C(=O)O)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid?
The InChIKey is RKZWFUISLAHCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-10-4-2-3-8(5-10)9-6-13-11(12(15)16)14-7-9/h2-7H,1H3,(H,15,16).
What are the key properties of 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid?
5-(3-methoxyphenyl)pyrimidine-2-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 5-(3-methoxyphenyl)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 84736136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).