N-(2-bromoethyl)pyridine-2-carboxamide

C8H9BrN2O — CID 12983473

IUPACN-(2-bromoethyl)pyridine-2-carboxamide
SMILESO=C(NCCBr)c1ccccn1
InChIInChI=1S/C8H9BrN2O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H,11,12)
InChIKeySMFVCKFWLXDJNS-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.21
Rot. Bonds3

About N-(2-bromoethyl)pyridine-2-carboxamide

N-(2-bromoethyl)pyridine-2-carboxamide (PubChem CID 12983473) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N-(2-bromoethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)pyridine-2-carboxamide
PubChem CID12983473
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN-(2-bromoethyl)pyridine-2-carboxamide
SMILESO=C(NCCBr)c1ccccn1
InChIInChI=1S/C8H9BrN2O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H,11,12)
InChIKeySMFVCKFWLXDJNS-UHFFFAOYSA-N
XLogP1.21
TPSA41.99 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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
N-(2-hydroxyethyl)pyridine-2-carboxamide;nitric acid
CID 157371793
N-[2-[N-[2-(pyridine-2-carbonylamino)ethyl]anilino]ethyl]pyridine-2-carboxamide
CID 139085666
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114758379
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)pyridine-2-carboxamide (CID 12983473) is N-(2-bromoethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)pyridine-2-carboxamide is O=C(NCCBr)c1ccccn1.
What is the InChIKey of N-(2-bromoethyl)pyridine-2-carboxamide?
The InChIKey is SMFVCKFWLXDJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-4-6-11-8(12)7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H,11,12).
What are the key properties of N-(2-bromoethyl)pyridine-2-carboxamide?
N-(2-bromoethyl)pyridine-2-carboxamide has a molecular weight of 229.08 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)pyridine-2-carboxamide is sourced from PubChem (CID 12983473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).