6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

C11H6ClFN2O2 — CID 44633650

IUPAC6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2F)ncn1
InChIInChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(10(7)13)8-4-9(11(16)17)15-5-14-8/h1-5H,(H,16,17)
InChIKeyIZZVCQGMXWJWJN-UHFFFAOYSA-N
MW252.63 g/mol
LogP2.63
Rot. Bonds2

About 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid

6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 44633650) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
PubChem CID44633650
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(Cl)c2F)ncn1
InChIInChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(10(7)13)8-4-9(11(16)17)15-5-14-8/h1-5H,(H,16,17)
InChIKeyIZZVCQGMXWJWJN-UHFFFAOYSA-N
XLogP2.63
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid (CID 44633650) is 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(Cl)c2F)ncn1.
What is the InChIKey of 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is IZZVCQGMXWJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-7-3-1-2-6(10(7)13)8-4-9(11(16)17)15-5-14-8/h1-5H,(H,16,17).
What are the key properties of 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid?
6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 252.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 44633650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).