6-bromo-1-methyl-2H-pyridine-2-carboxamide

C7H9BrN2O — CID 56619679

IUPAC6-bromo-1-methyl-2H-pyridine-2-carboxamide
SMILESCN1C(Br)=CC=CC1C(N)=O
InChIInChI=1S/C7H9BrN2O/c1-10-5(7(9)11)3-2-4-6(10)8/h2-5H,1H3,(H2,9,11)
InChIKeyLJWUKBQEMBYFFG-UHFFFAOYSA-N
MW217.07 g/mol
LogP0.58
Rot. Bonds1

About 6-bromo-1-methyl-2H-pyridine-2-carboxamide

6-bromo-1-methyl-2H-pyridine-2-carboxamide (PubChem CID 56619679) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 6-bromo-1-methyl-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-1-methyl-2H-pyridine-2-carboxamide
PubChem CID56619679
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name6-bromo-1-methyl-2H-pyridine-2-carboxamide
SMILESCN1C(Br)=CC=CC1C(N)=O
InChIInChI=1S/C7H9BrN2O/c1-10-5(7(9)11)3-2-4-6(10)8/h2-5H,1H3,(H2,9,11)
InChIKeyLJWUKBQEMBYFFG-UHFFFAOYSA-N
XLogP0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-2H-pyridine-2-carboxamide?
The IUPAC name of 6-bromo-1-methyl-2H-pyridine-2-carboxamide (CID 56619679) is 6-bromo-1-methyl-2H-pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-1-methyl-2H-pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-1-methyl-2H-pyridine-2-carboxamide is CN1C(Br)=CC=CC1C(N)=O.
What is the InChIKey of 6-bromo-1-methyl-2H-pyridine-2-carboxamide?
The InChIKey is LJWUKBQEMBYFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c1-10-5(7(9)11)3-2-4-6(10)8/h2-5H,1H3,(H2,9,11).
What are the key properties of 6-bromo-1-methyl-2H-pyridine-2-carboxamide?
6-bromo-1-methyl-2H-pyridine-2-carboxamide has a molecular weight of 217.07 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-2H-pyridine-2-carboxamide is sourced from PubChem (CID 56619679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).