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

C11H13F3N2O2 — CID 79876825

IUPAC2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)5-15-9-7(10(17)18)3-4-8(16-9)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRELKVHNJDPNXBK-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.87
Rot. Bonds4

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

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876825) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876825
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCC(C)CNc1nc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C11H13F3N2O2/c1-6(2)5-15-9-7(10(17)18)3-4-8(16-9)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyRELKVHNJDPNXBK-UHFFFAOYSA-N
XLogP2.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876825) is 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is CC(C)CNc1nc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is RELKVHNJDPNXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-6(2)5-15-9-7(10(17)18)3-4-8(16-9)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).