2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide

C9H11BrN2O2 — CID 103886003

IUPAC2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyDUVJOKYUVOPVGJ-ZCFIWIBFSA-N
MW259.10 g/mol
LogP0.95
Rot. Bonds3

About 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide

2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 103886003) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID103886003
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cccnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1
InChIKeyDUVJOKYUVOPVGJ-ZCFIWIBFSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.95
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-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
3-bromo-N-[(2S)-2-hydroxypropyl]pyridine-2-carboxamide
CID 107519736
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
methyl 2-[(2-bromopyridine-3-carbonyl)amino]acetate
CID 103752231
2-bromo-N-(5-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103862151
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
N-(2-hydroxypropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474928
N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide (CID 103886003) is 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide is C[C@@H](O)CNC(=O)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is DUVJOKYUVOPVGJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(13)5-12-9(14)7-3-2-4-11-8(7)10/h2-4,6,13H,5H2,1H3,(H,12,14)/t6-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide?
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 103886003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).