ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate

C10H8FNO2S — CID 162639406

IUPACethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2sccc2c(F)n1
InChIInChI=1S/C10H8FNO2S/c1-2-14-10(13)7-5-8-6(3-4-15-8)9(11)12-7/h3-5H,2H2,1H3
InChIKeyMKUMDPFPPRKVTQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.61
Rot. Bonds2

About ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate

ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate (PubChem CID 162639406) has the molecular formula C10H8FNO2S and a molecular weight of 225.24 g/mol. Its IUPAC name is ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate
PubChem CID162639406
Molecular FormulaC10H8FNO2S
Molecular Weight225.24 g/mol
Exact Mass225.03
IUPAC Nameethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2sccc2c(F)n1
InChIInChI=1S/C10H8FNO2S/c1-2-14-10(13)7-5-8-6(3-4-15-8)9(11)12-7/h3-5H,2H2,1H3
InChIKeyMKUMDPFPPRKVTQ-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate (CID 162639406) is ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate is CCOC(=O)c1cc2sccc2c(F)n1.
What is the InChIKey of ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is MKUMDPFPPRKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2S/c1-2-14-10(13)7-5-8-6(3-4-15-8)9(11)12-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate?
ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 225.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluorothieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 162639406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).