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

C10H10N2O2 — CID 14898892

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

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

ethyl 5-cyano-2-methylpyridine-3-carboxylate (PubChem CID 14898892) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 5-cyano-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methylpyridine-3-carboxylate
PubChem CID14898892
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 5-cyano-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)cnc1C
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)9-4-8(5-11)6-12-7(9)2/h4,6H,3H2,1-2H3
InChIKeyNEJOOOQDGVMSFX-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 5-cyano-2-(4,4-difluorobutan-2-yloxy)pyridine-3-carboxylate
CID 150928978
ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
(4-cyanophenyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 61323202
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethane;ethyl 5-cyanopyridine-3-carboxylate
CID 145385789
ethyl 5-cyano-2-methoxybenzoate
CID 117275313
ethyl 5-cyano-3-hydroxy-2-iodobenzoate
CID 131475255
ethyl 4-cyano-6-fluoropyridine-3-carboxylate
CID 130863255
ethyl 2-(aminomethyl)-5-cyano-3-ethylbenzoate
CID 134650245
ethyl 5-cyano-3-fluoro-2-iodobenzoate
CID 131531973
ethyl 5-cyano-3-hydroxy-2-methylpyridine-4-carboxylate
CID 15599062
ethyl 2-methyl-5-(1-methylsulfanylethyl)pyridine-3-carboxylate
CID 59297068

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-methylpyridine-3-carboxylate (CID 14898892) is ethyl 5-cyano-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-methylpyridine-3-carboxylate is CCOC(=O)c1cc(C#N)cnc1C.
What is the InChIKey of ethyl 5-cyano-2-methylpyridine-3-carboxylate?
The InChIKey is NEJOOOQDGVMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-14-10(13)9-4-8(5-11)6-12-7(9)2/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 5-cyano-2-methylpyridine-3-carboxylate?
ethyl 5-cyano-2-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 5-cyano-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 14898892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).