2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate

C12H10FNO2S — CID 115498907

IUPAC2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate
SMILESO=C(OCCc1cccs1)c1cccc(F)n1
InChIInChI=1S/C12H10FNO2S/c13-11-5-1-4-10(14-11)12(15)16-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2
InChIKeyCDRNYSXCSHFHKI-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.68
Rot. Bonds4

About 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate

2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate (PubChem CID 115498907) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate
PubChem CID115498907
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate
SMILESO=C(OCCc1cccs1)c1cccc(F)n1
InChIInChI=1S/C12H10FNO2S/c13-11-5-1-4-10(14-11)12(15)16-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2
InChIKeyCDRNYSXCSHFHKI-UHFFFAOYSA-N
XLogP2.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-thiophen-2-ylethyl 6-fluoropyridine-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

2-(5-Chlorothiophen-2-yl)-2-oxoethyl 3,6-dichloropyridine-2-carboxylate
CID 2365093
Bis[2-oxo-2-(2-thienyl)ethyl] 2,6-pyridinedicarboxylate
CID 3154665
6-Thien-2-ylpyridine-2-carboxylic acid
CID 4739101
Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate
CID 384453
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] pyridine-2-carboxylate
CID 2693083
Thiophen-2-ylmethyl 6-(pyrrolidine-1-carbonyl)pyridine-2-carboxylate
CID 71988272
Ethyl 6-thiophen-3-ylpyridine-2-carboxylate
CID 172438456
Methyl 6-methylsulfanylcarbonylpyridine-2-carboxylate
CID 13130839
Methyl 4-methyl-5-thiophen-2-yl-6-(trifluoromethyl)pyridine-2-carboxylate
CID 135043415
4-Fluorothieno[2,3-d]pyridine-6-carboxylic acid ethyl ester
CID 162639406
Diethyl 4-thiophen-3-ylpyridine-2,6-dicarboxylate
CID 86060107
3,6,12,15-Tetraoxa-9-thia-21-azabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione
CID 326422

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate?
The IUPAC name of 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate (CID 115498907) is 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate is O=C(OCCc1cccs1)c1cccc(F)n1.
What is the InChIKey of 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate?
The InChIKey is CDRNYSXCSHFHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-11-5-1-4-10(14-11)12(15)16-7-6-9-3-2-8-17-9/h1-5,8H,6-7H2.
What are the key properties of 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate?
2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethyl 6-fluoropyridine-2-carboxylate is sourced from PubChem (CID 115498907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).