6-bromo-3-hydroxypyridine-2-carbonitrile

C6H3BrN2O — CID 23088708

IUPAC6-bromo-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Br)ccc1O
InChIInChI=1S/C6H3BrN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H
InChIKeyLBUCAVGFSDCKGK-UHFFFAOYSA-N
MW199.01 g/mol
LogP1.42
Rot. Bonds

About 6-bromo-3-hydroxypyridine-2-carbonitrile

6-bromo-3-hydroxypyridine-2-carbonitrile (PubChem CID 23088708) has the molecular formula C6H3BrN2O and a molecular weight of 199.01 g/mol. Its IUPAC name is 6-bromo-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-hydroxypyridine-2-carbonitrile
PubChem CID23088708
Molecular FormulaC6H3BrN2O
Molecular Weight199.01 g/mol
Exact Mass197.94
IUPAC Name6-bromo-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(Br)ccc1O
InChIInChI=1S/C6H3BrN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H
InChIKeyLBUCAVGFSDCKGK-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 6-bromo-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 6-bromo-3-hydroxypyridine-2-carbonitrile (CID 23088708) is 6-bromo-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 6-bromo-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 6-bromo-3-hydroxypyridine-2-carbonitrile is N#Cc1nc(Br)ccc1O.
What is the InChIKey of 6-bromo-3-hydroxypyridine-2-carbonitrile?
The InChIKey is LBUCAVGFSDCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O/c7-6-2-1-5(10)4(3-8)9-6/h1-2,10H.
What are the key properties of 6-bromo-3-hydroxypyridine-2-carbonitrile?
6-bromo-3-hydroxypyridine-2-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 6-bromo-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 23088708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).