5-(2-bromoethyl)pyridine-3-carboxamide

C8H9BrN2O — CID 91033103

IUPAC5-(2-bromoethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(CCBr)c1
InChIInChI=1S/C8H9BrN2O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1-2H2,(H2,10,12)
InChIKeyQRUCHMAFVBQPIA-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.12
Rot. Bonds3

About 5-(2-bromoethyl)pyridine-3-carboxamide

5-(2-bromoethyl)pyridine-3-carboxamide (PubChem CID 91033103) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-(2-bromoethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-bromoethyl)pyridine-3-carboxamide
PubChem CID91033103
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-(2-bromoethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cncc(CCBr)c1
InChIInChI=1S/C8H9BrN2O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1-2H2,(H2,10,12)
InChIKeyQRUCHMAFVBQPIA-UHFFFAOYSA-N
XLogP1.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.12
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 5-(2-bromoethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-bromoethyl)pyridine-3-carboxamide (CID 91033103) is 5-(2-bromoethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-bromoethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-bromoethyl)pyridine-3-carboxamide is NC(=O)c1cncc(CCBr)c1.
What is the InChIKey of 5-(2-bromoethyl)pyridine-3-carboxamide?
The InChIKey is QRUCHMAFVBQPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-2-1-6-3-7(8(10)12)5-11-4-6/h3-5H,1-2H2,(H2,10,12).
What are the key properties of 5-(2-bromoethyl)pyridine-3-carboxamide?
5-(2-bromoethyl)pyridine-3-carboxamide has a molecular weight of 229.08 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)pyridine-3-carboxamide is sourced from PubChem (CID 91033103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).