5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide

C10H12BrClN2O — CID 63395409

IUPAC5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrClN2O/c1-2-14(6-5-12)10(15)9-4-3-8(11)7-13-9/h3-4,7H,2,5-6H2,1H3
InChIKeyRHWIWFQFUOZZHK-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.55
Rot. Bonds4

About 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide

5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide (PubChem CID 63395409) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
PubChem CID63395409
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CCCl)C(=O)c1ccc(Br)cn1
InChIInChI=1S/C10H12BrClN2O/c1-2-14(6-5-12)10(15)9-4-3-8(11)7-13-9/h3-4,7H,2,5-6H2,1H3
InChIKeyRHWIWFQFUOZZHK-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 62954068
5-bromo-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 59392699
4-bromo-2-chloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395077
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
5-bromo-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 55153821
5-bromo-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62955102
4-bromo-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63395588
5-bromo-N-(2-bromoethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 80666509
5-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 115771489
N,N-diethyl-5-hydroxypyridine-2-carboxamide
CID 67234300
N-(2-chloroethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 63395365
N-butyl-N-(2-chloroethyl)-5-cyanopyridine-2-carboxamide
CID 55230022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide (CID 63395409) is 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide is CCN(CCCl)C(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is RHWIWFQFUOZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-2-14(6-5-12)10(15)9-4-3-8(11)7-13-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide?
5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 291.58 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloroethyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 63395409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).