2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid

C12H8F3N3O2 — CID 11716131

IUPAC2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-6-7(3-5-16-9)18-10-8(11(19)20)2-1-4-17-10/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyXUUCKNZPOVCGBK-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.94
Rot. Bonds3

About 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid

2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid (PubChem CID 11716131) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
PubChem CID11716131
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC Name2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-6-7(3-5-16-9)18-10-8(11(19)20)2-1-4-17-10/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyXUUCKNZPOVCGBK-UHFFFAOYSA-N
XLogP2.94
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
2-(4-acetylanilino)pyridine-3-carboxylic acid
CID 14222049
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-(3-chloro-2-methylanilino)benzoic acid;2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 66813719
2-(3-naphthalen-2-ylanilino)pyridine-3-carboxylic acid
CID 70027003
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
acetic acid;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 175172290

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid (CID 11716131) is 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid?
The InChIKey is XUUCKNZPOVCGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)9-6-7(3-5-16-9)18-10-8(11(19)20)2-1-4-17-10/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid?
2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11716131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).