6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

C10H11F3N2O3 — CID 19858324

IUPAC6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESCCCNc1[nH]c(=O)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O3/c1-2-3-14-7-5(9(17)18)4-6(8(16)15-7)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyMMXFKMUWTRXALO-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.91
Rot. Bonds4

About 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 19858324) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID19858324
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESCCCNc1[nH]c(=O)c(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H11F3N2O3/c1-2-3-14-7-5(9(17)18)4-6(8(16)15-7)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H2,14,15,16)
InChIKeyMMXFKMUWTRXALO-UHFFFAOYSA-N
XLogP1.91
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 19858324) is 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is CCCNc1[nH]c(=O)c(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is MMXFKMUWTRXALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-2-3-14-7-5(9(17)18)4-6(8(16)15-7)10(11,12)13/h4H,2-3H2,1H3,(H,17,18)(H2,14,15,16).
What are the key properties of 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 264.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(propylamino)-5-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 19858324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).