ethyl 4-cyano-6-methylpyridine-3-carboxylate

C10H10N2O2 — CID 101070953

IUPACethyl 4-cyano-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)cc1C#N
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)9-6-12-7(2)4-8(9)5-11/h4,6H,3H2,1-2H3
InChIKeyAXEHACOERKEMDW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.44
Rot. Bonds2

About ethyl 4-cyano-6-methylpyridine-3-carboxylate

ethyl 4-cyano-6-methylpyridine-3-carboxylate (PubChem CID 101070953) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethyl 4-cyano-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-6-methylpyridine-3-carboxylate
PubChem CID101070953
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Nameethyl 4-cyano-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)cc1C#N
InChIInChI=1S/C10H10N2O2/c1-3-14-10(13)9-6-12-7(2)4-8(9)5-11/h4,6H,3H2,1-2H3
InChIKeyAXEHACOERKEMDW-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-fluoropyridine-3-carboxylate
CID 130863255
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
CID 172556928
ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
ethyl 2-(5-cyano-2-methyl-4-pyridinyl)acetate
CID 133097335
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethyl 5-chloro-2-cyano-4-methylbenzoate
CID 134651034
ethyl 4-cyano-3,6-dimethylpyridine-2-carboxylate
CID 68506612
ethyl 2-cyano-4-fluoro-5-methylbenzoate
CID 172648981
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
ethyl 3,5-dicyano-2,4-dimethylbenzoate
CID 156825800
ethyl 5-chloro-4-(chloromethyl)-2-cyanobenzoate
CID 131265765
ethyl 2-cyano-4-formyl-5-methylbenzoate
CID 134632192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-cyano-6-methylpyridine-3-carboxylate (CID 101070953) is ethyl 4-cyano-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-cyano-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-cyano-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)cc1C#N.
What is the InChIKey of ethyl 4-cyano-6-methylpyridine-3-carboxylate?
The InChIKey is AXEHACOERKEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-14-10(13)9-6-12-7(2)4-8(9)5-11/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 4-cyano-6-methylpyridine-3-carboxylate?
ethyl 4-cyano-6-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 4-cyano-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 101070953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).