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

C13H8ClF3N2O2 — CID 43343615

IUPAC2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-4-7(12(20)21)5-11(19-10)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyPHLBFXOVRPSISJ-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.20
Rot. Bonds3

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

2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 43343615) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID43343615
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-10-4-7(12(20)21)5-11(19-10)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyPHLBFXOVRPSISJ-UHFFFAOYSA-N
XLogP4.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
2-[3-(trifluoromethyl)anilino]quinoline-7-carboxylic acid
CID 174186287
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
4-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113192978
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid
CID 19257146
2-[3-(trifluoromethyl)anilino]quinoline-4-carboxylate
CID 3503074
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
2-methyl-6-[3-(trifluoromethyl)anilino]pyridine-4-carbothioamide
CID 114767055
3-[[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113193482
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 43343615) is 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is PHLBFXOVRPSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-10-4-7(12(20)21)5-11(19-10)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid has a molecular weight of 316.67 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 43343615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).