4-ethoxy-3-methylpyridine-2-carbonitrile

C9H10N2O — CID 55253072

IUPAC4-ethoxy-3-methylpyridine-2-carbonitrile
SMILESCCOc1ccnc(C#N)c1C
InChIInChI=1S/C9H10N2O/c1-3-12-9-4-5-11-8(6-10)7(9)2/h4-5H,3H2,1-2H3
InChIKeyNTPCSZQTAPALDJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.66
Rot. Bonds2

About 4-ethoxy-3-methylpyridine-2-carbonitrile

4-ethoxy-3-methylpyridine-2-carbonitrile (PubChem CID 55253072) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-ethoxy-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-3-methylpyridine-2-carbonitrile
PubChem CID55253072
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-ethoxy-3-methylpyridine-2-carbonitrile
SMILESCCOc1ccnc(C#N)c1C
InChIInChI=1S/C9H10N2O/c1-3-12-9-4-5-11-8(6-10)7(9)2/h4-5H,3H2,1-2H3
InChIKeyNTPCSZQTAPALDJ-UHFFFAOYSA-N
XLogP1.66
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethylpyridine-2-carbonitrile
CID 23003409
ethyl 2-(2-cyano-3-methyl-4-pyridinyl)acetate
CID 133097445
2-amino-4-ethoxypyridine-3-carbonitrile
CID 13463295
4-bromo-3-methylpyridine-2-carbonitrile
CID 55253016
4-chloro-3-methylpyridine-2-carbonitrile;hydrochloride
CID 141028452
6-amino-3-ethoxy-2-methylbenzonitrile
CID 82014812
methyl 2-cyano-3-methylpyridine-4-carboxylate
CID 59565228
ethyl 2-cyano-3-sulfanylpyridine-4-carboxylate
CID 130775364
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
2,6-diethoxybenzonitrile
CID 3018118
3,4-diethylpyridine-2-carbonitrile
CID 139882541
1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine-7-carbonitrile
CID 11535948

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methylpyridine-2-carbonitrile?
The IUPAC name of 4-ethoxy-3-methylpyridine-2-carbonitrile (CID 55253072) is 4-ethoxy-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 4-ethoxy-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 4-ethoxy-3-methylpyridine-2-carbonitrile is CCOc1ccnc(C#N)c1C.
What is the InChIKey of 4-ethoxy-3-methylpyridine-2-carbonitrile?
The InChIKey is NTPCSZQTAPALDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-12-9-4-5-11-8(6-10)7(9)2/h4-5H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methylpyridine-2-carbonitrile?
4-ethoxy-3-methylpyridine-2-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 55253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).