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

C7H5BrF2N2O2 — CID 118804786

IUPAC4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5BrF2N2O2/c8-2-1-3(6(11)13)12-7(14)4(2)5(9)10/h1,5H,(H2,11,13)(H,12,14)
InChIKeyDZDVBNIHAJQCKL-UHFFFAOYSA-N
MW267.03 g/mol
LogP1.17
Rot. Bonds2

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

4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118804786) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118804786
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1cc(Br)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C7H5BrF2N2O2/c8-2-1-3(6(11)13)12-7(14)4(2)5(9)10/h1,5H,(H2,11,13)(H,12,14)
InChIKeyDZDVBNIHAJQCKL-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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide (CID 118804786) is 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1cc(Br)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is DZDVBNIHAJQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-2-1-3(6(11)13)12-7(14)4(2)5(9)10/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide?
4-bromo-5-(difluoromethyl)-6-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 4-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118804786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).