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

C13H8ClF3N2O2 — CID 28537506

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-11-5-7(12(20)21)3-4-18-11/h1-6H,(H,18,19)(H,20,21)
InChIKeyQZXDDXHCQOSMTQ-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.20
Rot. Bonds3

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

2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 28537506) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID28537506
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C13H8ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-11-5-7(12(20)21)3-4-18-11/h1-6H,(H,18,19)(H,20,21)
InChIKeyQZXDDXHCQOSMTQ-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

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178911
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
CID 107528839
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
[5-[4-chloro-2-(trifluoromethyl)anilino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273671
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080480
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
6-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151940
N-butyl-6-[4-chloro-2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109340173
5-[4-chloro-2-(trifluoromethyl)anilino]-N-propylpyrazine-2-carboxamide
CID 109270933

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 28537506) is 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is QZXDDXHCQOSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-8-1-2-10(9(6-8)13(15,16)17)19-11-5-7(12(20)21)3-4-18-11/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
2-[4-chloro-2-(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-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 28537506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).