4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C12H14N2O2 — CID 116862220

IUPAC4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCCC2)cc(=O)[nH]c1O
InChIInChI=1S/C12H14N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,14,15,16)
InChIKeyHHSWPAYIOVWVKP-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.00
Rot. Bonds1

About 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 116862220) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID116862220
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCCC2)cc(=O)[nH]c1O
InChIInChI=1S/C12H14N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,14,15,16)
InChIKeyHHSWPAYIOVWVKP-UHFFFAOYSA-N
XLogP2.00
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 116862220) is 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(C2CCCCC2)cc(=O)[nH]c1O.
What is the InChIKey of 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HHSWPAYIOVWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-7-10-9(6-11(15)14-12(10)16)8-4-2-1-3-5-8/h6,8H,1-5H2,(H2,14,15,16).
What are the key properties of 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).