methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate

C10H10N2O2 — CID 156518639

IUPACmethyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1CC#N
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(5-6-11)9(12-7)10(13)14-2/h3-4H,5H2,1-2H3
InChIKeyJRZREYVFESGTNT-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.24
Rot. Bonds2

About methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate

methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate (PubChem CID 156518639) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
PubChem CID156518639
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1CC#N
InChIInChI=1S/C10H10N2O2/c1-7-3-4-8(5-6-11)9(12-7)10(13)14-2/h3-4H,5H2,1-2H3
InChIKeyJRZREYVFESGTNT-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

ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
methyl 3-cyano-4,6-dimethylpyridine-2-carboxylate
CID 130298670
methyl 3-carboxyoxy-6-methylpyridine-2-carboxylate
CID 67797440
methyl 2-(cyanomethyl)-6-methylpyridine-4-carboxylate
CID 55267491
methyl 5-(cyanomethyl)-3-methylpyridine-2-carboxylate
CID 130050397
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
CID 145241727
methyl 4-amino-2-(cyanomethyl)benzoate
CID 90165575
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
CID 140938984
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
methyl 5-amino-1-(2,6-dimethyl-3-pyridinyl)-2-ethylimidazole-4-carboxylate
CID 103545777

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate?
The IUPAC name of methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate (CID 156518639) is methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate is COC(=O)c1nc(C)ccc1CC#N.
What is the InChIKey of methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate?
The InChIKey is JRZREYVFESGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-4-8(5-6-11)9(12-7)10(13)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 3-(cyanomethyl)-6-methylpyridine-2-carboxylate?
methyl 3-(cyanomethyl)-6-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 3-(cyanomethyl)-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 156518639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).