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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Related Compounds

4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90440337
4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylic acid
CID 68598493
4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)pyridine-2-carboxylic acid
CID 22677438
4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylic acid
CID 22677268
4-amino-3-chloro-6-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 22677250
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
4-amino-3-chloro-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carboxylic acid
CID 123931312
4-amino-3-chloro-6-[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]pyridine-2-carboxylic acid
CID 174443473
4-amino-3-fluoro-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylic acid
CID 151240746
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
3-amino-6-[3,5-bis(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 169133743
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037

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).