5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide

C10H12BrClN2O2 — CID 62001227

IUPAC5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-14(3-4-16-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3
InChIKeyONVFBUVHJRZZPP-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.22
Rot. Bonds4

About 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide

5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (PubChem CID 62001227) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
PubChem CID62001227
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Name5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H12BrClN2O2/c1-14(3-4-16-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3
InChIKeyONVFBUVHJRZZPP-UHFFFAOYSA-N
XLogP2.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
5-bromo-2-chloro-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62334858
5-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 115968474
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658
5-bromo-2-chloro-N-[2-(2-methoxyethoxy)ethyl]pyridine-3-carboxamide
CID 62001049
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
5-bromo-2-chloro-N-cyclopropyl-N-(methoxymethyl)pyridine-3-carboxamide
CID 171476093
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide (CID 62001227) is 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is COCCN(C)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is ONVFBUVHJRZZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-14(3-4-16-2)10(15)8-5-7(11)6-13-9(8)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 307.58 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62001227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).