2-bromo-N-methylpyridine-4-carboxamide

C7H7BrN2O — CID 2762473

IUPAC2-bromo-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C7H7BrN2O/c1-9-7(11)5-2-3-10-6(8)4-5/h2-4H,1H3,(H,9,11)
InChIKeyVHTGUQFOXREDMP-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.20
Rot. Bonds1

About 2-bromo-N-methylpyridine-4-carboxamide

2-bromo-N-methylpyridine-4-carboxamide (PubChem CID 2762473) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 2-bromo-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methylpyridine-4-carboxamide
PubChem CID2762473
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name2-bromo-N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C7H7BrN2O/c1-9-7(11)5-2-3-10-6(8)4-5/h2-4H,1H3,(H,9,11)
InChIKeyVHTGUQFOXREDMP-UHFFFAOYSA-N
XLogP1.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.20
H-Bond Donors ≤ 51
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-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-methylpyridine-4-carboxamide (CID 2762473) is 2-bromo-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-methylpyridine-4-carboxamide is CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-methylpyridine-4-carboxamide?
The InChIKey is VHTGUQFOXREDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c1-9-7(11)5-2-3-10-6(8)4-5/h2-4H,1H3,(H,9,11).
What are the key properties of 2-bromo-N-methylpyridine-4-carboxamide?
2-bromo-N-methylpyridine-4-carboxamide has a molecular weight of 215.05 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 2762473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).