6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide

C7H5BrF2N2O2 — CID 119002739

IUPAC6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(=O)c(C(F)F)c(Br)[nH]1
InChIInChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)3(13)1-2(12-5)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyCRIBVLUWTOTJEH-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.17
Rot. Bonds2

About 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide

6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 119002739) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide
PubChem CID119002739
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(=O)c(C(F)F)c(Br)[nH]1
InChIInChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)3(13)1-2(12-5)7(11)14/h1,6H,(H2,11,14)(H,12,13)
InChIKeyCRIBVLUWTOTJEH-UHFFFAOYSA-N
XLogP1.17
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide (CID 119002739) is 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide is NC(=O)c1cc(=O)c(C(F)F)c(Br)[nH]1.
What is the InChIKey of 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is CRIBVLUWTOTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-5-4(6(9)10)3(13)1-2(12-5)7(11)14/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide?
6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 267.03 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 119002739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).