2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid

C13H8ClF3N2O2 — CID 60862551

IUPAC2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)12(20)21)19-11-4-1-7(6-18-11)13(15,16)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyUSKHCTBDANAFPU-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid

2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid (PubChem CID 60862551) has the molecular formula C13H8ClF3N2O2 and a molecular weight of 316.67 g/mol. Its IUPAC name is 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
PubChem CID60862551
Molecular FormulaC13H8ClF3N2O2
Molecular Weight316.67 g/mol
Exact Mass316.02
IUPAC Name2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
SMILESO=C(O)c1cc(Nc2ccc(C(F)(F)F)cn2)ccc1Cl
InChIInChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)12(20)21)19-11-4-1-7(6-18-11)13(15,16)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyUSKHCTBDANAFPU-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

2-chloro-4-[4-(trifluoromethyl)anilino]benzoic acid
CID 63499316
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 2097688
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 63500586
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 155343072
2-bromo-5-[4-(trifluoromethyl)anilino]benzoic acid
CID 115296056
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid (CID 60862551) is 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid is O=C(O)c1cc(Nc2ccc(C(F)(F)F)cn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid?
The InChIKey is USKHCTBDANAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N2O2/c14-10-3-2-8(5-9(10)12(20)21)19-11-4-1-7(6-18-11)13(15,16)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid?
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic 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-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 60862551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).