2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

C8H10N2O — CID 58836841

IUPAC2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)C(O)N1
InChIInChI=1S/C8H10N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,8,10-11H,1-2H3
InChIKeyCXOOYWBDQSXDOZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.65
Rot. Bonds

About 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile

2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (PubChem CID 58836841) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
PubChem CID58836841
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile
SMILESCC1=CC(C)=C(C#N)C(O)N1
InChIInChI=1S/C8H10N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,8,10-11H,1-2H3
InChIKeyCXOOYWBDQSXDOZ-UHFFFAOYSA-N
XLogP0.65
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile (CID 58836841) is 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is CC1=CC(C)=C(C#N)C(O)N1.
What is the InChIKey of 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
The InChIKey is CXOOYWBDQSXDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3,8,10-11H,1-2H3.
What are the key properties of 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile?
2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,6-dimethyl-1,2-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 58836841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).