3-hydroxypyridine-4-carbonitrile

C6H4N2O — CID 12959077

IUPAC3-hydroxypyridine-4-carbonitrile
SMILESN#Cc1ccncc1O
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
InChIKeyWHPBWFPVRFLVMZ-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.66
Rot. Bonds

About 3-hydroxypyridine-4-carbonitrile

3-hydroxypyridine-4-carbonitrile (PubChem CID 12959077) has the molecular formula C6H4N2O and a molecular weight of 120.11 g/mol. Its IUPAC name is 3-hydroxypyridine-4-carbonitrile.

Molecular Properties

Compound Name3-hydroxypyridine-4-carbonitrile
PubChem CID12959077
Molecular FormulaC6H4N2O
Molecular Weight120.11 g/mol
Exact Mass120.03
IUPAC Name3-hydroxypyridine-4-carbonitrile
SMILESN#Cc1ccncc1O
InChIInChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H
InChIKeyWHPBWFPVRFLVMZ-UHFFFAOYSA-N
XLogP0.66
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyridine-4-carbonitrile?
The IUPAC name of 3-hydroxypyridine-4-carbonitrile (CID 12959077) is 3-hydroxypyridine-4-carbonitrile.
What is the SMILES notation for 3-hydroxypyridine-4-carbonitrile?
The canonical SMILES for 3-hydroxypyridine-4-carbonitrile is N#Cc1ccncc1O.
What is the InChIKey of 3-hydroxypyridine-4-carbonitrile?
The InChIKey is WHPBWFPVRFLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O/c7-3-5-1-2-8-4-6(5)9/h1-2,4,9H.
What are the key properties of 3-hydroxypyridine-4-carbonitrile?
3-hydroxypyridine-4-carbonitrile has a molecular weight of 120.11 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyridine-4-carbonitrile is sourced from PubChem (CID 12959077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).