2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile

C10H12N2O3 — CID 3146302

IUPAC2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCO)c(O)c1C#N
InChIInChI=1S/C10H12N2O3/c1-7-5-9(14)12(3-2-4-13)10(15)8(7)6-11/h5,13,15H,2-4H2,1H3
InChIKeyFWHBDXDIMVJLNG-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.12
Rot. Bonds3

About 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile

2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile (PubChem CID 3146302) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
PubChem CID3146302
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile
SMILESCc1cc(=O)n(CCCO)c(O)c1C#N
InChIInChI=1S/C10H12N2O3/c1-7-5-9(14)12(3-2-4-13)10(15)8(7)6-11/h5,13,15H,2-4H2,1H3
InChIKeyFWHBDXDIMVJLNG-UHFFFAOYSA-N
XLogP0.12
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile (CID 3146302) is 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile is Cc1cc(=O)n(CCCO)c(O)c1C#N.
What is the InChIKey of 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile?
The InChIKey is FWHBDXDIMVJLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-5-9(14)12(3-2-4-13)10(15)8(7)6-11/h5,13,15H,2-4H2,1H3.
What are the key properties of 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile?
2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile has a molecular weight of 208.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-hydroxypropyl)-4-methyl-6-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3146302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).