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

C9H11BrN2O2 — CID 103819583

IUPAC2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14)
InChIKeySRKLJIRCGKILAS-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.96
Rot. Bonds4

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

2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 103819583) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
PubChem CID103819583
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
SMILESO=C(NCCCO)c1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14)
InChIKeySRKLJIRCGKILAS-UHFFFAOYSA-N
XLogP0.96
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-bromo-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 103755024
2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-bromo-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 103753970
methyl 6-[(2-bromopyridine-3-carbonyl)amino]hexanoate
CID 113255495
2-bromo-N-[3-(1H-imidazol-2-yl)propyl]pyridine-3-carboxamide
CID 114036178
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-(4-bromophenyl)sulfanyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 78854403
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide (CID 103819583) is 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide is O=C(NCCCO)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is SRKLJIRCGKILAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-8-7(3-1-4-11-8)9(14)12-5-2-6-13/h1,3-4,13H,2,5-6H2,(H,12,14).
What are the key properties of 2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide?
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 0.96, 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-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 103819583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).