5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide

C11H14BrClN2O2 — CID 79389658

IUPAC5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-11(2,17)6-15(3)10(16)8-4-7(12)5-14-9(8)13/h4-5,17H,6H2,1-3H3
InChIKeyMRYIELFEPPJUKB-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.34
Rot. Bonds3

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

5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (PubChem CID 79389658) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
PubChem CID79389658
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC Name5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C11H14BrClN2O2/c1-11(2,17)6-15(3)10(16)8-4-7(12)5-14-9(8)13/h4-5,17H,6H2,1-3H3
InChIKeyMRYIELFEPPJUKB-UHFFFAOYSA-N
XLogP2.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.34
H-Bond Donors ≤ 51
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-[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-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62001227
5-bromo-2-chloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62000635
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389751
5-bromo-2-chloro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 80709337
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
CID 62187326
5-bromo-2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 63236918
2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 106994076
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide (CID 79389658) is 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is CN(CC(C)(C)O)C(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is MRYIELFEPPJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-11(2,17)6-15(3)10(16)8-4-7(12)5-14-9(8)13/h4-5,17H,6H2,1-3H3.
What are the key properties of 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide?
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 321.60 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 79389658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).