5-chloro-4-phenylpyrimidine-2-carboxylic acid

C11H7ClN2O2 — CID 156842588

IUPAC5-chloro-4-phenylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C11H7ClN2O2/c12-8-6-13-10(11(15)16)14-9(8)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeyLARGSXBANGLJJZ-UHFFFAOYSA-N
MW234.64 g/mol
LogP2.50
Rot. Bonds2

About 5-chloro-4-phenylpyrimidine-2-carboxylic acid

5-chloro-4-phenylpyrimidine-2-carboxylic acid (PubChem CID 156842588) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 5-chloro-4-phenylpyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-phenylpyrimidine-2-carboxylic acid
PubChem CID156842588
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name5-chloro-4-phenylpyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C11H7ClN2O2/c12-8-6-13-10(11(15)16)14-9(8)7-4-2-1-3-5-7/h1-6H,(H,15,16)
InChIKeyLARGSXBANGLJJZ-UHFFFAOYSA-N
XLogP2.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-phenylpyrimidine-2-carboxylic acid?
The IUPAC name of 5-chloro-4-phenylpyrimidine-2-carboxylic acid (CID 156842588) is 5-chloro-4-phenylpyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-phenylpyrimidine-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-phenylpyrimidine-2-carboxylic acid is O=C(O)c1ncc(Cl)c(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-4-phenylpyrimidine-2-carboxylic acid?
The InChIKey is LARGSXBANGLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-8-6-13-10(11(15)16)14-9(8)7-4-2-1-3-5-7/h1-6H,(H,15,16).
What are the key properties of 5-chloro-4-phenylpyrimidine-2-carboxylic acid?
5-chloro-4-phenylpyrimidine-2-carboxylic acid has a molecular weight of 234.64 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-phenylpyrimidine-2-carboxylic acid is sourced from PubChem (CID 156842588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).