5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

C11H13BrF2N2O3 — CID 59828246

IUPAC5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cc(Br)c(C(F)F)[nH]c1=O
InChIInChI=1S/C11H13BrF2N2O3/c1-5(4-19-2)15-10(17)6-3-7(12)8(9(13)14)16-11(6)18/h3,5,9H,4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQMQKPKXQKGFYCX-UHFFFAOYSA-N
MW339.14 g/mol
LogP1.84
Rot. Bonds5

About 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 59828246) has the molecular formula C11H13BrF2N2O3 and a molecular weight of 339.14 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID59828246
Molecular FormulaC11H13BrF2N2O3
Molecular Weight339.14 g/mol
Exact Mass338.01
IUPAC Name5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(C)NC(=O)c1cc(Br)c(C(F)F)[nH]c1=O
InChIInChI=1S/C11H13BrF2N2O3/c1-5(4-19-2)15-10(17)6-3-7(12)8(9(13)14)16-11(6)18/h3,5,9H,4H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQMQKPKXQKGFYCX-UHFFFAOYSA-N
XLogP1.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide (CID 59828246) is 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is COCC(C)NC(=O)c1cc(Br)c(C(F)F)[nH]c1=O.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QMQKPKXQKGFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O3/c1-5(4-19-2)15-10(17)6-3-7(12)8(9(13)14)16-11(6)18/h3,5,9H,4H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 339.14 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(difluoromethyl)-N-(1-methoxypropan-2-yl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).