methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate

C10H10N2O2 — CID 131074231

IUPACmethyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C)cnc1C#N
InChIInChI=1S/C10H10N2O2/c1-7-3-8(4-10(13)14-2)9(5-11)12-6-7/h3,6H,4H2,1-2H3
InChIKeyRAEKAOCKGNJLKD-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds2

About methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate

methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate (PubChem CID 131074231) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
PubChem CID131074231
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cc(C)cnc1C#N
InChIInChI=1S/C10H10N2O2/c1-7-3-8(4-10(13)14-2)9(5-11)12-6-7/h3,6H,4H2,1-2H3
InChIKeyRAEKAOCKGNJLKD-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
methyl 2-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
methyl 2-[2-cyano-5-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 133107684
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-(3-amino-2-cyano-4-pyridinyl)acetate
CID 130777634
methyl 2-(5-chloro-2-cyano-4-pyridinyl)acetate
CID 130936538
methyl 2-[3-chloro-2-cyano-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134674118
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
CID 130967534
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate (CID 131074231) is methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate is COC(=O)Cc1cc(C)cnc1C#N.
What is the InChIKey of methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate?
The InChIKey is RAEKAOCKGNJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-3-8(4-10(13)14-2)9(5-11)12-6-7/h3,6H,4H2,1-2H3.
What are the key properties of methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate?
methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate has a molecular weight of 190.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 131074231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).