ethyl 3-cyano-5-methoxypyridine-2-carboxylate

C10H10N2O3 — CID 133097457

IUPACethyl 3-cyano-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)cc1C#N
InChIInChI=1S/C10H10N2O3/c1-3-15-10(13)9-7(5-11)4-8(14-2)6-12-9/h4,6H,3H2,1-2H3
InChIKeyBFHDNBSWLDHIOS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.14
Rot. Bonds3

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

ethyl 3-cyano-5-methoxypyridine-2-carboxylate (PubChem CID 133097457) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 3-cyano-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-5-methoxypyridine-2-carboxylate
PubChem CID133097457
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 3-cyano-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ncc(OC)cc1C#N
InChIInChI=1S/C10H10N2O3/c1-3-15-10(13)9-7(5-11)4-8(14-2)6-12-9/h4,6H,3H2,1-2H3
InChIKeyBFHDNBSWLDHIOS-UHFFFAOYSA-N
XLogP1.14
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-5-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 3-cyano-5-methoxypyridine-2-carboxylate (CID 133097457) is ethyl 3-cyano-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-cyano-5-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 3-cyano-5-methoxypyridine-2-carboxylate is CCOC(=O)c1ncc(OC)cc1C#N.
What is the InChIKey of ethyl 3-cyano-5-methoxypyridine-2-carboxylate?
The InChIKey is BFHDNBSWLDHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-15-10(13)9-7(5-11)4-8(14-2)6-12-9/h4,6H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-5-methoxypyridine-2-carboxylate?
ethyl 3-cyano-5-methoxypyridine-2-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133097457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).