ethyl 2-cyano-5-methylpyridine-3-carboxylate

C10H10N2O2 — CID 117275747

IUPACethyl 2-cyano-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1C#N
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)8-4-7(2)6-12-9(8)5-11/h4,6H,3H2,1-2H3
InChIKeyZIEOPGAUVQWEDY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.44
Rot. Bonds2

About ethyl 2-cyano-5-methylpyridine-3-carboxylate

ethyl 2-cyano-5-methylpyridine-3-carboxylate (PubChem CID 117275747) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 2-cyano-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyano-5-methylpyridine-3-carboxylate
PubChem CID117275747
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 2-cyano-5-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1C#N
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)8-4-7(2)6-12-9(8)5-11/h4,6H,3H2,1-2H3
InChIKeyZIEOPGAUVQWEDY-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
ethyl 6-cyano-4-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134662470
ethyl 6-cyano-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134685699
ethyl 4-cyano-6-fluoropyridine-3-carboxylate
CID 130863255
ethyl 5-chloro-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 134674108
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
ethyl 2-cyano-3-sulfanylpyridine-4-carboxylate
CID 130775364
methyl 2-(2-cyano-5-methyl-3-pyridinyl)acetate
CID 131074231
ethyl 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-carboxylate
CID 134677907
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyano-5-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-cyano-5-methylpyridine-3-carboxylate (CID 117275747) is ethyl 2-cyano-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-cyano-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-cyano-5-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C)cnc1C#N.
What is the InChIKey of ethyl 2-cyano-5-methylpyridine-3-carboxylate?
The InChIKey is ZIEOPGAUVQWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-14-10(13)8-4-7(2)6-12-9(8)5-11/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-cyano-5-methylpyridine-3-carboxylate?
ethyl 2-cyano-5-methylpyridine-3-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyano-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 117275747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).