2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C15H12F4N2O2 — CID 155452536

IUPAC2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCc1cc(F)ccc1Nc1ncc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H12F4N2O2/c1-2-8-5-10(16)3-4-12(8)21-13-11(14(22)23)6-9(7-20-13)15(17,18)19/h3-7H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyKRPFMMRHBHHXRH-UHFFFAOYSA-N
MW328.27 g/mol
LogP4.24
Rot. Bonds4

About 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 155452536) has the molecular formula C15H12F4N2O2 and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID155452536
Molecular FormulaC15H12F4N2O2
Molecular Weight328.27 g/mol
Exact Mass328.08
IUPAC Name2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCc1cc(F)ccc1Nc1ncc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C15H12F4N2O2/c1-2-8-5-10(16)3-4-12(8)21-13-11(14(22)23)6-9(7-20-13)15(17,18)19/h3-7H,2H2,1H3,(H,20,21)(H,22,23)
InChIKeyKRPFMMRHBHHXRH-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 90093440
2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane
CID 167489855
2-ethyl-4-fluorobenzoic acid
CID 22101376
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
5-bromo-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 63537127
4-(2-bromo-4-fluoroanilino)pyrimidine-5-carboxylic acid
CID 114214052
methyl 2-[2-(2-aminoethyl)-4-fluoroanilino]-5-(trifluoromethyl)benzoate;hydrochloride
CID 170438032
2-[2-[[2-(3-amino-6-methoxy-2-pyridinyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-fluoroanilino]-5-(trifluoromethyl)benzoic acid
CID 170437979
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
4-(2,5-difluoroanilino)pyrimidine-5-carboxylic acid
CID 115148846

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 155452536) is 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid is CCc1cc(F)ccc1Nc1ncc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is KRPFMMRHBHHXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O2/c1-2-8-5-10(16)3-4-12(8)21-13-11(14(22)23)6-9(7-20-13)15(17,18)19/h3-7H,2H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 328.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155452536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).