2-bromo-5-hydroxypyridine-4-carbonitrile

C6H3BrN2O — CID 118999081

IUPAC2-bromo-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(Br)ncc1O
InChIInChI=1S/C6H3BrN2O/c7-6-1-4(2-8)5(10)3-9-6/h1,3,10H
InChIKeyUMYKACKGYHWLIX-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.42
Rot. Bonds

About 2-bromo-5-hydroxypyridine-4-carbonitrile

2-bromo-5-hydroxypyridine-4-carbonitrile (PubChem CID 118999081) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 2-bromo-5-hydroxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-bromo-5-hydroxypyridine-4-carbonitrile
PubChem CID118999081
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name2-bromo-5-hydroxypyridine-4-carbonitrile
SMILESN#Cc1cc(Br)ncc1O
InChIInChI=1S/C6H3BrN2O/c7-6-1-4(2-8)5(10)3-9-6/h1,3,10H
InChIKeyUMYKACKGYHWLIX-UHFFFAOYSA-N
XLogP1.42
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.01
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-hydroxypyridine-4-carbonitrile?
The IUPAC name of 2-bromo-5-hydroxypyridine-4-carbonitrile (CID 118999081) is 2-bromo-5-hydroxypyridine-4-carbonitrile.
What is the SMILES notation for 2-bromo-5-hydroxypyridine-4-carbonitrile?
The canonical SMILES for 2-bromo-5-hydroxypyridine-4-carbonitrile is N#Cc1cc(Br)ncc1O.
What is the InChIKey of 2-bromo-5-hydroxypyridine-4-carbonitrile?
The InChIKey is UMYKACKGYHWLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-6-1-4(2-8)5(10)3-9-6/h1,3,10H.
What are the key properties of 2-bromo-5-hydroxypyridine-4-carbonitrile?
2-bromo-5-hydroxypyridine-4-carbonitrile has a molecular weight of 199.01 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-hydroxypyridine-4-carbonitrile is sourced from PubChem (CID 118999081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).