6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid

C10H11F3N2O2 — CID 165493380

IUPAC6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCNc1ccc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-2-5-14-7-4-3-6(9(16)17)8(15-7)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyDRWJGESWORMCNX-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.62
Rot. Bonds4

About 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid

6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 165493380) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID165493380
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCCCNc1ccc(C(=O)O)c(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N2O2/c1-2-5-14-7-4-3-6(9(16)17)8(15-7)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyDRWJGESWORMCNX-UHFFFAOYSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

6-cyano-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 57347102
methyl 2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetate
CID 106770479
methyl 3-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanoate
CID 106771014
2-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]ethylurea
CID 102719108
N-methyl-2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106770681
6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 19858324
6-(3-prop-2-enylanilino)-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 163413507
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
2-bromo-3-fluoro-4-(propylamino)benzoic acid
CID 107539907
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876203
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807

Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 165493380) is 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid is CCCNc1ccc(C(=O)O)c(C(F)(F)F)n1.
What is the InChIKey of 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is DRWJGESWORMCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-5-14-7-4-3-6(9(16)17)8(15-7)10(11,12)13/h3-4H,2,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid?
6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165493380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).