1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C10H12N2O2 — CID 11816360

IUPAC1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCO)c(=O)c1C#N
InChIInChI=1S/C10H12N2O2/c1-7-5-8(2)12(3-4-13)10(14)9(7)6-11/h5,13H,3-4H2,1-2H3
InChIKeyCNNVTSWCISTPGD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.33
Rot. Bonds2

About 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile

1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 11816360) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID11816360
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(CCO)c(=O)c1C#N
InChIInChI=1S/C10H12N2O2/c1-7-5-8(2)12(3-4-13)10(14)9(7)6-11/h5,13H,3-4H2,1-2H3
InChIKeyCNNVTSWCISTPGD-UHFFFAOYSA-N
XLogP0.33
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 11816360) is 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(CCO)c(=O)c1C#N.
What is the InChIKey of 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is CNNVTSWCISTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-5-8(2)12(3-4-13)10(14)9(7)6-11/h5,13H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 192.22 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 11816360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).