5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

C11H12BrF3N2O2 — CID 75475898

IUPAC5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)N(C)CCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C11H12BrF3N2O2/c1-6-8(12)9(18)7(5-16-6)10(19)17(2)4-3-11(13,14)15/h5H,3-4H2,1-2H3,(H,16,18)
InChIKeyQWNZGQNIXYLBRN-UHFFFAOYSA-N
MW341.13 g/mol
LogP2.47
Rot. Bonds3

About 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (PubChem CID 75475898) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
PubChem CID75475898
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]cc(C(=O)N(C)CCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C11H12BrF3N2O2/c1-6-8(12)9(18)7(5-16-6)10(19)17(2)4-3-11(13,14)15/h5H,3-4H2,1-2H3,(H,16,18)
InChIKeyQWNZGQNIXYLBRN-UHFFFAOYSA-N
XLogP2.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (CID 75475898) is 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is Cc1[nH]cc(C(=O)N(C)CCC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The InChIKey is QWNZGQNIXYLBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-6-8(12)9(18)7(5-16-6)10(19)17(2)4-3-11(13,14)15/h5H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide has a molecular weight of 341.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75475898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).