6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide

C11H15BrN2O2 — CID 103917004

IUPAC6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
SMILESCCC(O)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-2-8(15)6-7-13-11(16)9-4-3-5-10(12)14-9/h3-5,8,15H,2,6-7H2,1H3,(H,13,16)
InChIKeyNOXGDYVYUKLIDA-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.73
Rot. Bonds5

About 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide

6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide (PubChem CID 103917004) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
PubChem CID103917004
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
SMILESCCC(O)CCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C11H15BrN2O2/c1-2-8(15)6-7-13-11(16)9-4-3-5-10(12)14-9/h3-5,8,15H,2,6-7H2,1H3,(H,13,16)
InChIKeyNOXGDYVYUKLIDA-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.73
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

6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
2,6-difluoro-N-(3-hydroxypentyl)benzamide
CID 115703804
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
3-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 107519370
N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide (CID 103917004) is 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide is CCC(O)CCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
The InChIKey is NOXGDYVYUKLIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-8(15)6-7-13-11(16)9-4-3-5-10(12)14-9/h3-5,8,15H,2,6-7H2,1H3,(H,13,16).
What are the key properties of 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide?
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide is sourced from PubChem (CID 103917004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).