(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate

C14H13NO4S — CID 175962557

IUPAC(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1OC(=O)c1cccnc1
InChIInChI=1S/C14H13NO4S/c1-3-18-13(17)11-9(2)8-20-14(11)19-12(16)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3
InChIKeyVYHPAMZQCLIJEP-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.85
Rot. Bonds4

About (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate

(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate (PubChem CID 175962557) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate
PubChem CID175962557
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)csc1OC(=O)c1cccnc1
InChIInChI=1S/C14H13NO4S/c1-3-18-13(17)11-9(2)8-20-14(11)19-12(16)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3
InChIKeyVYHPAMZQCLIJEP-UHFFFAOYSA-N
XLogP2.85
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-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 pyridine-3-carboxylate;dihydrochloride
CID 141150900
(3-ethoxycarbonyl-1-phenylpyrazol-5-yl) pyridine-3-carboxylate
CID 3246769
ethyl benzoate;pyridine-3-carboxamide
CID 175250777
ethyl pyridine-3-carboperoxoate
CID 143721352
ethyl 2-diazo-2-pyridin-3-ylacetate
CID 170961774
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413764
[1-[(3-ethoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-1-oxobutan-2-yl] pyridine-3-carboxylate
CID 23916380
(111C)methyl pyridine-3-carboxylate
CID 11309537
ethyl 6-deuteriopyridine-3-carboxylate
CID 42612866
2-oxopropyl pyridine-3-carboxylate
CID 69192363
ethyl 3-(pyridine-3-carbonyl)but-3-enoate
CID 22457754
ethyl pyridine-3-carboxylate;(3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 66705749

Frequently Asked Questions

What is the IUPAC name of (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate?
The IUPAC name of (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate (CID 175962557) is (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate.
What is the SMILES notation for (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate?
The canonical SMILES for (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate is CCOC(=O)c1c(C)csc1OC(=O)c1cccnc1.
What is the InChIKey of (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate?
The InChIKey is VYHPAMZQCLIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-3-18-13(17)11-9(2)8-20-14(11)19-12(16)10-5-4-6-15-7-10/h4-8H,3H2,1-2H3.
What are the key properties of (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate?
(3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxycarbonyl-4-methylthiophen-2-yl) pyridine-3-carboxylate is sourced from PubChem (CID 175962557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).