2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide

C10H13BrN2O2 — CID 103755462

IUPAC2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cccnc1Br
InChIInChI=1S/C10H13BrN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)
InChIKeyNPJMMFZXAHOZTB-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.34
Rot. Bonds4

About 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide

2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide (PubChem CID 103755462) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
PubChem CID103755462
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cccnc1Br
InChIInChI=1S/C10H13BrN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15)
InChIKeyNPJMMFZXAHOZTB-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide (CID 103755462) is 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide is CC(O)CCNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide?
The InChIKey is NPJMMFZXAHOZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7(14)4-6-13-10(15)8-3-2-5-12-9(8)11/h2-3,5,7,14H,4,6H2,1H3,(H,13,15).
What are the key properties of 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide?
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide is sourced from PubChem (CID 103755462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).