4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

C13H8ClF3N2O2 — CID 22677423

IUPAC4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-10-8(18)5-9(19-11(10)12(20)21)6-1-3-7(4-2-6)13(15,16)17/h1-5H,(H2,18,19)(H,20,21)
InChIKeyLWOYDXSYBQFFSC-UHFFFAOYSA-N
MW316.67 g/mol
LogP3.70
Rot. Bonds2

About 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 22677423) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID22677423
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
SMILESNc1cc(-c2ccc(C(F)(F)F)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-10-8(18)5-9(19-11(10)12(20)21)6-1-3-7(4-2-6)13(15,16)17/h1-5H,(H2,18,19)(H,20,21)
InChIKeyLWOYDXSYBQFFSC-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 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid (CID 22677423) is 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is Nc1cc(-c2ccc(C(F)(F)F)cc2)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is LWOYDXSYBQFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-10-8(18)5-9(19-11(10)12(20)21)6-1-3-7(4-2-6)13(15,16)17/h1-5H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-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 4-amino-3-chloro-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 22677423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).