ethyl 6-cyano-5-methoxypyridine-2-carboxylate

C10H10N2O3 — CID 133097463

IUPACethyl 6-cyano-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OC)c(C#N)n1
InChIInChI=1S/C10H10N2O3/c1-3-15-10(13)7-4-5-9(14-2)8(6-11)12-7/h4-5H,3H2,1-2H3
InChIKeyRPFUAMUJJKGZNR-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.14
Rot. Bonds3

About ethyl 6-cyano-5-methoxypyridine-2-carboxylate

ethyl 6-cyano-5-methoxypyridine-2-carboxylate (PubChem CID 133097463) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 6-cyano-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyano-5-methoxypyridine-2-carboxylate
PubChem CID133097463
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 6-cyano-5-methoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OC)c(C#N)n1
InChIInChI=1S/C10H10N2O3/c1-3-15-10(13)7-4-5-9(14-2)8(6-11)12-7/h4-5H,3H2,1-2H3
InChIKeyRPFUAMUJJKGZNR-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

Analyze ethyl 6-cyano-5-methoxypyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-cyano-2-methoxybenzoate
CID 117275313
6-amino-3-methoxypyridine-2-carbonitrile
CID 118607484
ethyl 5-amino-6-cyano-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133096570
propyl 5-cyano-6-methylpyridine-2-carboxylate
CID 112727103
ethyl 2-cyano-6-ethyl-3-methoxybenzoate
CID 134614907
ethyl 2-(4-cyano-2-methoxyanilino)-1,3-thiazole-4-carboxylate
CID 104850151
ethyl 6-cyano-5-(difluoromethyl)-4-iodopyridine-2-carboxylate
CID 134684998
ethyl 2-cyano-6-(hydroxymethyl)-3-methoxybenzoate
CID 134641477
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
6-bromo-3-methoxypyridine-2-carbonitrile
CID 22560740
6-(bromomethyl)-3-methoxypyridine-2-carbonitrile
CID 96536885
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyano-5-methoxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-cyano-5-methoxypyridine-2-carboxylate (CID 133097463) is ethyl 6-cyano-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyano-5-methoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-cyano-5-methoxypyridine-2-carboxylate is CCOC(=O)c1ccc(OC)c(C#N)n1.
What is the InChIKey of ethyl 6-cyano-5-methoxypyridine-2-carboxylate?
The InChIKey is RPFUAMUJJKGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-15-10(13)7-4-5-9(14-2)8(6-11)12-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 6-cyano-5-methoxypyridine-2-carboxylate?
ethyl 6-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 6-cyano-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 133097463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).