methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate

C10H10N2O2 — CID 130050397

IUPACmethyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CC#N)cc1C
InChIInChI=1S/C10H10N2O2/c1-7-5-8(3-4-11)6-12-9(7)10(13)14-2/h5-6H,3H2,1-2H3
InChIKeyJJZCNQABZKZSAE-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds2

About methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate

methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate (PubChem CID 130050397) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
PubChem CID130050397
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1ncc(CC#N)cc1C
InChIInChI=1S/C10H10N2O2/c1-7-5-8(3-4-11)6-12-9(7)10(13)14-2/h5-6H,3H2,1-2H3
InChIKeyJJZCNQABZKZSAE-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

2-(5-hydroxy-6-methyl-3-pyridinyl)acetonitrile
CID 130786986
methyl 3-methyl-5-[2-(methylamino)ethoxy]pyridine-2-carboxylate
CID 142465477
methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
CID 156518639
methyl 5-(cyanomethyl)-3-fluoro-2-methylbenzoate
CID 117295477
dimethyl 2-(cyanomethyl)pyridine-3,5-dicarboxylate
CID 155921153
ethane;methyl 5-(3-ethylphenyl)-3-methylpyridine-2-carboxylate;molecular hydrogen
CID 176579358
methyl 5-(aminomethyl)-3-fluoropyridine-2-carboxylate
CID 117275720
methyl 5-(2-formylphenyl)-3-methylpyridine-2-carboxylate
CID 170838684
2-(4-methoxy-3,5-dimethylphenyl)acetonitrile
CID 45091198
2-methoxycarbonyl-5-(methoxymethyl)pyridine-3-carboxylic acid
CID 67683783
methyl 5-(cyanomethyl)-2-fluorobenzoate
CID 68844953
methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
CID 55267491

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate (CID 130050397) is methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate is COC(=O)c1ncc(CC#N)cc1C.
What is the InChIKey of methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate?
The InChIKey is JJZCNQABZKZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-5-8(3-4-11)6-12-9(7)10(13)14-2/h5-6H,3H2,1-2H3.
What are the key properties of methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate?
methyl 5-(cyanomethyl)-3-methylpyridine-2-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 5-(cyanomethyl)-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 130050397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).