methyl 2-(2-cyanoethyl)pyridine-3-carboxylate

C10H10N2O2 — CID 146567740

IUPACmethyl 2-(2-cyanoethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CCC#N
InChIInChI=1S/C10H10N2O2/c1-14-10(13)8-4-3-7-12-9(8)5-2-6-11/h3-4,7H,2,5H2,1H3
InChIKeyJOJRTPLQTVLJNN-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.32
Rot. Bonds3

About methyl 2-(2-cyanoethyl)pyridine-3-carboxylate

methyl 2-(2-cyanoethyl)pyridine-3-carboxylate (PubChem CID 146567740) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-(2-cyanoethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-cyanoethyl)pyridine-3-carboxylate
PubChem CID146567740
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-(2-cyanoethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CCC#N
InChIInChI=1S/C10H10N2O2/c1-14-10(13)8-4-3-7-12-9(8)5-2-6-11/h3-4,7H,2,5H2,1H3
InChIKeyJOJRTPLQTVLJNN-UHFFFAOYSA-N
XLogP1.32
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-(2-cyanoethyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 159490005
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl 2-(3-piperazin-1-ylpropyl)pyridine-3-carboxylate
CID 141006469
methyl 2-[(E)-2-cyanoethenyl]pyridine-3-carboxylate
CID 146567718
methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
CID 87392386
CID 87392386
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128
3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
CID 146567738
methyl 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]pyridine-3-carboxylate
CID 114198895
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
CID 114198781

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyanoethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-cyanoethyl)pyridine-3-carboxylate (CID 146567740) is methyl 2-(2-cyanoethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-cyanoethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-cyanoethyl)pyridine-3-carboxylate is COC(=O)c1cccnc1CCC#N.
What is the InChIKey of methyl 2-(2-cyanoethyl)pyridine-3-carboxylate?
The InChIKey is JOJRTPLQTVLJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)8-4-3-7-12-9(8)5-2-6-11/h3-4,7H,2,5H2,1H3.
What are the key properties of methyl 2-(2-cyanoethyl)pyridine-3-carboxylate?
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyanoethyl)pyridine-3-carboxylate is sourced from PubChem (CID 146567740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).