3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

C13H8ClF3N2O2 — CID 105062553

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-9-2-1-7(13(15,16)17)5-10(9)19-11-6-18-4-3-8(11)12(20)21/h1-6,19H,(H,20,21)
InChIKeyRVLGSKQZOSFWAH-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.20
Rot. Bonds3

About 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid

3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 105062553) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID105062553
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-9-2-1-7(13(15,16)17)5-10(9)19-11-6-18-4-3-8(11)12(20)21/h1-6,19H,(H,20,21)
InChIKeyRVLGSKQZOSFWAH-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

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062709
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
6-[2-chloro-5-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60791798
3-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboxylic acid
CID 77105912
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499316
4-[[5-amino-6-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 22541316
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
N-[2-amino-4-(trifluoromethyl)phenyl]-3-chloropyridine-4-carboxamide
CID 66464357
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
2-anilino-N-[2-chloro-5-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313456

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 105062553) is 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is RVLGSKQZOSFWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-9-2-1-7(13(15,16)17)5-10(9)19-11-6-18-4-3-8(11)12(20)21/h1-6,19H,(H,20,21).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
3-[2-chloro-5-(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 3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).