ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate

C12H12N2O2 — CID 172556928

IUPACethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)cc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)10-7-14-11(8-3-4-8)5-9(10)6-13/h5,7-8H,2-4H2,1H3
InChIKeyKFLJTQOFCMWOGG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.01
Rot. Bonds3

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

ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate (PubChem CID 172556928) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
PubChem CID172556928
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C2CC2)cc1C#N
InChIInChI=1S/C12H12N2O2/c1-2-16-12(15)10-7-14-11(8-3-4-8)5-9(10)6-13/h5,7-8H,2-4H2,1H3
InChIKeyKFLJTQOFCMWOGG-UHFFFAOYSA-N
XLogP2.01
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-cyano-6-methylpyridine-3-carboxylate
CID 101070953
ethyl 4-cyano-6-fluoropyridine-3-carboxylate
CID 130863255
ethyl 3-cyano-6-cyclopropylpyridine-2-carboxylate
CID 50853263
ethyl 4,5-diamino-2-cyanobenzoate
CID 134651440
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 3-cyclopropyl-6-oxo-1H-pyridazine-5-carboxylate
CID 121205225
ethyl 5-chloro-2-cyclopropylpyridine-3-carboxylate
CID 112694248
ethyl 2-cyano-5-methylpyridine-3-carboxylate
CID 117275747
ethyl 5-chloro-2-cyano-4-methylbenzoate
CID 134651034
ethyl 2-cyano-4-fluoro-5-methylbenzoate
CID 172648981
ethyl 5-cyano-2-methylpyridine-3-carboxylate
CID 14898892
ethyl 5-(6-cyclopropyl-4-methyl-3-pyridinyl)-1-methylpyrazole-3-carboxylate
CID 118148827

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate?
The IUPAC name of ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate (CID 172556928) is ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate?
The canonical SMILES for ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate is CCOC(=O)c1cnc(C2CC2)cc1C#N.
What is the InChIKey of ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate?
The InChIKey is KFLJTQOFCMWOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-12(15)10-7-14-11(8-3-4-8)5-9(10)6-13/h5,7-8H,2-4H2,1H3.
What are the key properties of ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate?
ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyano-6-cyclopropylpyridine-3-carboxylate is sourced from PubChem (CID 172556928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).