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

C14H11F3N2O3 — CID 178064922

IUPAC2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C14H11F3N2O3/c1-22-11-5-4-8(14(15,16)17)7-10(11)19-12-9(13(20)21)3-2-6-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHVLYLRGRXMOFOB-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.55
Rot. Bonds4

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

2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (PubChem CID 178064922) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
PubChem CID178064922
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1ccc(C(F)(F)F)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C14H11F3N2O3/c1-22-11-5-4-8(14(15,16)17)7-10(11)19-12-9(13(20)21)3-2-6-18-12/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyHVLYLRGRXMOFOB-UHFFFAOYSA-N
XLogP3.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
3-[2,5-bis(trifluoromethyl)anilino]-4-methoxybenzoic acid
CID 155291425
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24986465
8-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 18372533
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
CID 11716131

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid (CID 178064922) is 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is COc1ccc(C(F)(F)F)cc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is HVLYLRGRXMOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-22-11-5-4-8(14(15,16)17)7-10(11)19-12-9(13(20)21)3-2-6-18-12/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid?
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 312.25 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 178064922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).