ethyl 2-thiophen-3-ylpyridine-4-carboxylate

C12H11NO2S — CID 101403578

IUPACethyl 2-thiophen-3-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)9-3-5-13-11(7-9)10-4-6-16-8-10/h3-8H,2H2,1H3
InChIKeyMWJDZWPFKCWZNB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.99
Rot. Bonds3

About ethyl 2-thiophen-3-ylpyridine-4-carboxylate

ethyl 2-thiophen-3-ylpyridine-4-carboxylate (PubChem CID 101403578) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylpyridine-4-carboxylate
PubChem CID101403578
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Nameethyl 2-thiophen-3-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccsc2)c1
InChIInChI=1S/C12H11NO2S/c1-2-15-12(14)9-3-5-13-11(7-9)10-4-6-16-8-10/h3-8H,2H2,1H3
InChIKeyMWJDZWPFKCWZNB-UHFFFAOYSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-thiophen-3-ylpyridine-4-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

5-(Pyridin-2-yl)thiophene-2-carboxylic acid
CID 736482
Methyl 2-thien-2-ylquinoline-4-carboxylate
CID 3577080
Methyl 5-(tert-butyl)-3-[(2-pyridylsulfonyl)methyl]thiophene-2-carboxylate
CID 2739083
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8373720
Methyl 2-[(2-oxo-2-phenylethyl)sulfanyl]isonicotinate
CID 902057
Ethyl [1]benzothiolo[2,3-c]pyridine-3-carboxylate
CID 4713458
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
2-(Thiophen-2-yl)pyridine-4-carboxylic acid
CID 4739102
6-(Thiophen-2-Yl)Pyridine-3-Carboxylic Acid
CID 15411144
Ethyl thieno[2,3-b]pyridine-3-carboxylate
CID 21828527
5-(Pyridin-4-yl)thiophene-2-carboxylic acid
CID 21928576

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-thiophen-3-ylpyridine-4-carboxylate (CID 101403578) is ethyl 2-thiophen-3-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-thiophen-3-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-thiophen-3-ylpyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccsc2)c1.
What is the InChIKey of ethyl 2-thiophen-3-ylpyridine-4-carboxylate?
The InChIKey is MWJDZWPFKCWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-15-12(14)9-3-5-13-11(7-9)10-4-6-16-8-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylpyridine-4-carboxylate?
ethyl 2-thiophen-3-ylpyridine-4-carboxylate has a molecular weight of 233.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 101403578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).