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

C13H8F4N2O2 — CID 105062709

IUPAC3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H8F4N2O2/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)
InChIKeyYMUFVTRFCODDNV-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.68
Rot. Bonds3

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

3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (PubChem CID 105062709) has the molecular formula C13H8F4N2O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
PubChem CID105062709
Molecular FormulaC13H8F4N2O2
Molecular Weight300.21 g/mol
Exact Mass300.05
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H8F4N2O2/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)
InChIKeyYMUFVTRFCODDNV-UHFFFAOYSA-N
XLogP3.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
3-[2-chloro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062553
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
3-[[2-cyclopropyl-4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carboxylic acid
CID 77105912
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
2-(3,4-difluoro-2-methylanilino)-5-(trifluoromethyl)benzoic acid
CID 155452887
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 66464004
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid (CID 105062709) is 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
The InChIKey is YMUFVTRFCODDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O2/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-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid?
3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid has a molecular weight of 300.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105062709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).