2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C13H8ClF3N2O2 — CID 102473852

IUPAC2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C13H8ClF3N2O2/c14-7-3-1-6(2-4-7)9-5-8(13(15,16)17)10(12(20)21)11(18)19-9/h1-5H,(H2,18,19)(H,20,21)
InChIKeyIOJIAIXDRCLMDN-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.70
Rot. Bonds2

About 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 102473852) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID102473852
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C13H8ClF3N2O2/c14-7-3-1-6(2-4-7)9-5-8(13(15,16)17)10(12(20)21)11(18)19-9/h1-5H,(H2,18,19)(H,20,21)
InChIKeyIOJIAIXDRCLMDN-UHFFFAOYSA-N
XLogP3.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 102473852) is 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is IOJIAIXDRCLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-7-3-1-6(2-4-7)9-5-8(13(15,16)17)10(12(20)21)11(18)19-9/h1-5H,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 316.67 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 102473852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).