3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide

C11H12BrF3N2O — CID 126839340

IUPAC3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCN(C)C(=O)c1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H12BrF3N2O/c1-3-6-17(2)10(18)9-7(12)4-5-8(16-9)11(13,14)15/h4-5H,3,6H2,1-2H3
InChIKeyAXGJQAZHGNZLET-UHFFFAOYSA-N
MW325.13 g/mol
LogP3.34
Rot. Bonds3

About 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide

3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 126839340) has the molecular formula C11H12BrF3N2O and a molecular weight of 325.13 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID126839340
Molecular FormulaC11H12BrF3N2O
Molecular Weight325.13 g/mol
Exact Mass324.01
IUPAC Name3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCN(C)C(=O)c1nc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H12BrF3N2O/c1-3-6-17(2)10(18)9-7(12)4-5-8(16-9)11(13,14)15/h4-5H,3,6H2,1-2H3
InChIKeyAXGJQAZHGNZLET-UHFFFAOYSA-N
XLogP3.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 126839340) is 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide is CCCN(C)C(=O)c1nc(C(F)(F)F)ccc1Br.
What is the InChIKey of 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AXGJQAZHGNZLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O/c1-3-6-17(2)10(18)9-7(12)4-5-8(16-9)11(13,14)15/h4-5H,3,6H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide?
3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 325.13 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-propyl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126839340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).