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

C7H5BrF2N2O2 — CID 119021187

IUPAC2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H5BrF2N2O2/c8-4-2(6(11)13)1-3(5(9)10)7(14)12-4/h1,5H,(H2,11,13)(H,12,14)
InChIKeyLDYVNTFLHWLWEL-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.17
Rot. Bonds2

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

2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 119021187) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID119021187
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(C(F)F)c(=O)[nH]c1Br
InChIInChI=1S/C7H5BrF2N2O2/c8-4-2(6(11)13)1-3(5(9)10)7(14)12-4/h1,5H,(H2,11,13)(H,12,14)
InChIKeyLDYVNTFLHWLWEL-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 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 119021187) is 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1cc(C(F)F)c(=O)[nH]c1Br.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LDYVNTFLHWLWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-4-2(6(11)13)1-3(5(9)10)7(14)12-4/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide?
2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-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 2-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119021187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).