methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate

C10H10N2O2 — CID 55267491

IUPACmethyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(CC#N)c1
InChIInChI=1S/C10H10N2O2/c1-7-5-8(10(13)14-2)6-9(12-7)3-4-11/h5-6H,3H2,1-2H3
InChIKeyOUCJHKGEVCHKDN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate

methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate (PubChem CID 55267491) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
PubChem CID55267491
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(CC#N)c1
InChIInChI=1S/C10H10N2O2/c1-7-5-8(10(13)14-2)6-9(12-7)3-4-11/h5-6H,3H2,1-2H3
InChIKeyOUCJHKGEVCHKDN-UHFFFAOYSA-N
XLogP1.24
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(hydroxymethyl)-6-methylpyridine-4-carboxylate;hydrate
CID 141487204
methyl 2-(methoxymethyl)-6-methylpyridine-4-carboxylate
CID 118905736
3-(2-bromo-6-methyl-4-pyridinyl)-3-oxopropanenitrile;methyl 2-bromo-6-methylpyridine-4-carboxylate
CID 159668255
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2,6-bis(bromomethyl)pyridine-4-carboxylate
CID 23545489
methyl 2-methyl-6-morpholin-4-ylpyridine-4-carboxylate;3-(2-methyl-6-morpholin-4-yl-4-pyridinyl)-3-oxopropanenitrile
CID 158591232
methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
CID 156518639
dimethyl 5-(cyanomethoxy)benzene-1,3-dicarboxylate
CID 8536461
dimethyl 2-(cyanomethyl)pyridine-3,5-dicarboxylate
CID 155921153
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate (CID 55267491) is methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(CC#N)c1.
What is the InChIKey of methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate?
The InChIKey is OUCJHKGEVCHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-5-8(10(13)14-2)6-9(12-7)3-4-11/h5-6H,3H2,1-2H3.
What are the key properties of methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate?
methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 55267491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).