2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid

C10H11F3N2O2 — CID 90093440

IUPAC2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Nc1ncc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5(2)15-8-7(9(16)17)3-6(4-14-8)10(11,12)13/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyMPSCUYAMOWRIBW-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.62
Rot. Bonds3

About 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid

2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 90093440) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID90093440
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)Nc1ncc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5(2)15-8-7(9(16)17)3-6(4-14-8)10(11,12)13/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyMPSCUYAMOWRIBW-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
2-(2-ethyl-4-fluoroanilino)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 155452536
2-(azetidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 165493636
2-[[5-(5-phenylthiophen-2-yl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 167489841
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-[[5-(2,4-difluorophenyl)-4-propan-2-yl-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid;ethane
CID 167489855
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
2-(3,5-dimethoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909587
methyl 2-fluoro-5-(trifluoromethyl)pyridine-3-carboxylate
CID 118704463

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 90093440) is 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)Nc1ncc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is MPSCUYAMOWRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5(2)15-8-7(9(16)17)3-6(4-14-8)10(11,12)13/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 90093440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).