3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide

C10H12Br2N2O — CID 107526189

IUPAC3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CCBr)C(=O)c1ncccc1Br
InChIInChI=1S/C10H12Br2N2O/c1-2-14(7-5-11)10(15)9-8(12)4-3-6-13-9/h3-4,6H,2,5,7H2,1H3
InChIKeyNDHNJWRPWQNUNZ-UHFFFAOYSA-N
MW336.03 g/mol
LogP2.70
Rot. Bonds4

About 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide

3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide (PubChem CID 107526189) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
PubChem CID107526189
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CCBr)C(=O)c1ncccc1Br
InChIInChI=1S/C10H12Br2N2O/c1-2-14(7-5-11)10(15)9-8(12)4-3-6-13-9/h3-4,6H,2,5,7H2,1H3
InChIKeyNDHNJWRPWQNUNZ-UHFFFAOYSA-N
XLogP2.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107518835
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
3-bromo-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 107517764
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
3-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 107519162
3-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518452
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
N-[(2-aminophenyl)methyl]-3-bromo-N-propylpyridine-2-carboxamide
CID 107516856

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide (CID 107526189) is 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide is CCN(CCBr)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is NDHNJWRPWQNUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c1-2-14(7-5-11)10(15)9-8(12)4-3-6-13-9/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide?
3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 336.03 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromoethyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 107526189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).