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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Related Compounds

1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile
CID 119879
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
CID 113347
3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 170159
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 120054
6-Hydroxy-1-(2-hydroxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 650531
6-Hydroxy-4-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 1504761
1,2-Dihydro-6-hydroxy-4-methyl-1-[3-(1-methylethoxy)propyl]-2-oxo-3-pyridinecarbonitrile
CID 15868916
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 3148839
6-Hydroxy-4-methyl-2-oxo-1-propyl-1,2-dihydropyridine-3-carbonitrile
CID 704165
3-Cyano-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinepropanoic acid
CID 21264851
6-Hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2825068
6-Hydroxy-4-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carbonitrile
CID 3291815

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).