6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile

C9H10N2O2 — CID 67467633

IUPAC6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
SMILESCOc1nc(CO)cc(C)c1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-12)11-9(13-2)8(6)4-10/h3,12H,5H2,1-2H3
InChIKeyPDPDBMSLNXTORF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.76
Rot. Bonds2

About 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile

6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile (PubChem CID 67467633) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
PubChem CID67467633
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile
SMILESCOc1nc(CO)cc(C)c1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-12)11-9(13-2)8(6)4-10/h3,12H,5H2,1-2H3
InChIKeyPDPDBMSLNXTORF-UHFFFAOYSA-N
XLogP0.76
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile (CID 67467633) is 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile is COc1nc(CO)cc(C)c1C#N.
What is the InChIKey of 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
The InChIKey is PDPDBMSLNXTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-3-7(5-12)11-9(13-2)8(6)4-10/h3,12H,5H2,1-2H3.
What are the key properties of 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile?
6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-2-methoxy-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 67467633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).