methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate

C10H10N2O2 — CID 130967534

IUPACmethyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(C#N)c1C
InChIInChI=1S/C10H10N2O2/c1-7-8(3-10(13)14-2)5-12-6-9(7)4-11/h5-6H,3H2,1-2H3
InChIKeyDTRNAQBLOGTVIO-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds2

About methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate

methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate (PubChem CID 130967534) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
PubChem CID130967534
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cncc(C#N)c1C
InChIInChI=1S/C10H10N2O2/c1-7-8(3-10(13)14-2)5-12-6-9(7)4-11/h5-6H,3H2,1-2H3
InChIKeyDTRNAQBLOGTVIO-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

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Related Compounds

ethyl 2-(4-amino-5-cyano-3-pyridinyl)acetate
CID 133098447
ethyl 2-(4-bromo-5-cyano-3-pyridinyl)acetate
CID 133098215
methyl 2-(4-cyano-3-methoxy-2-methylphenyl)acetate
CID 77230692
methyl 2-[4-(chloromethyl)-5-cyano-2-methylphenyl]acetate
CID 131372818
methyl 2-[4-(aminomethyl)-5-cyano-2-methylphenyl]acetate
CID 134635196
methyl 2-(2-chloro-5-cyano-4-pyridinyl)acetate
CID 131074208
methyl 2-[5-(chloromethyl)-4-cyano-2-methylphenyl]acetate
CID 131372810
methyl 2-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
methyl 2-[3-(aminomethyl)-4-cyano-2-methylphenyl]acetate
CID 134634845
methyl 2-[5-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097366
methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
CID 131074231
methyl 2-(4,5-difluoro-3-pyridinyl)acetate
CID 130779119

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate (CID 130967534) is methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate is COC(=O)Cc1cncc(C#N)c1C.
What is the InChIKey of methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate?
The InChIKey is DTRNAQBLOGTVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-8(3-10(13)14-2)5-12-6-9(7)4-11/h5-6H,3H2,1-2H3.
What are the key properties of methyl 2-(5-cyano-4-methyl-3-pyridinyl)acetate?
methyl 2-(5-cyano-4-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-(5-cyano-4-methyl-3-pyridinyl)acetate is sourced from PubChem (CID 130967534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).