6-(2-phenylethenyl)pyrimidine-4-carboxylic acid

C13H10N2O2 — CID 71844363

IUPAC6-(2-phenylethenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2)ncn1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeySMLWZSNDCJIJHD-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.35
Rot. Bonds3

About 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid

6-(2-phenylethenyl)pyrimidine-4-carboxylic acid (PubChem CID 71844363) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylethenyl)pyrimidine-4-carboxylic acid
PubChem CID71844363
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name6-(2-phenylethenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2ccccc2)ncn1
InChIInChI=1S/C13H10N2O2/c16-13(17)12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKeySMLWZSNDCJIJHD-UHFFFAOYSA-N
XLogP2.35
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid (CID 71844363) is 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(C=Cc2ccccc2)ncn1.
What is the InChIKey of 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid?
The InChIKey is SMLWZSNDCJIJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,16,17).
What are the key properties of 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid?
6-(2-phenylethenyl)pyrimidine-4-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 71844363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).