6-(bromomethyl)pyridine-2-carboxamide

C7H7BrN2O — CID 91240807

IUPAC6-(bromomethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CBr)n1
InChIInChI=1S/C7H7BrN2O/c8-4-5-2-1-3-6(10-5)7(9)11/h1-3H,4H2,(H2,9,11)
InChIKeyADAIKLXFANEIHW-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.08
Rot. Bonds2

About 6-(bromomethyl)pyridine-2-carboxamide

6-(bromomethyl)pyridine-2-carboxamide (PubChem CID 91240807) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is 6-(bromomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(bromomethyl)pyridine-2-carboxamide
PubChem CID91240807
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Name6-(bromomethyl)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CBr)n1
InChIInChI=1S/C7H7BrN2O/c8-4-5-2-1-3-6(10-5)7(9)11/h1-3H,4H2,(H2,9,11)
InChIKeyADAIKLXFANEIHW-UHFFFAOYSA-N
XLogP1.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(bromomethyl)pyridine-2-carboxamide (CID 91240807) is 6-(bromomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(bromomethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(bromomethyl)pyridine-2-carboxamide is NC(=O)c1cccc(CBr)n1.
What is the InChIKey of 6-(bromomethyl)pyridine-2-carboxamide?
The InChIKey is ADAIKLXFANEIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O/c8-4-5-2-1-3-6(10-5)7(9)11/h1-3H,4H2,(H2,9,11).
What are the key properties of 6-(bromomethyl)pyridine-2-carboxamide?
6-(bromomethyl)pyridine-2-carboxamide has a molecular weight of 215.05 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 91240807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).