4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile

C7H6N2O2 — CID 54686421

IUPAC4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C7H6N2O2/c1-9-3-2-6(10)5(4-8)7(9)11/h2-3,10H,1H3
InChIKeyJOTXKBDAQVLFAX-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.04
Rot. Bonds

About 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile

4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 54686421) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID54686421
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCn1ccc(O)c(C#N)c1=O
InChIInChI=1S/C7H6N2O2/c1-9-3-2-6(10)5(4-8)7(9)11/h2-3,10H,1H3
InChIKeyJOTXKBDAQVLFAX-UHFFFAOYSA-N
XLogP-0.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile (CID 54686421) is 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile is Cn1ccc(O)c(C#N)c1=O.
What is the InChIKey of 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JOTXKBDAQVLFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c1-9-3-2-6(10)5(4-8)7(9)11/h2-3,10H,1H3.
What are the key properties of 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile?
4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 54686421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).