ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate

C16H18ClNO3S — CID 129175018

IUPACethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cnc(Cl)cc2c1C1(OC)CCCC1
InChIInChI=1S/C16H18ClNO3S/c1-3-21-15(19)14-13(16(20-2)6-4-5-7-16)10-8-12(17)18-9-11(10)22-14/h8-9H,3-7H2,1-2H3
InChIKeySBRSCTHLJOOUPK-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.54
Rot. Bonds4

About ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate

ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 129175018) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID129175018
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Nameethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2cnc(Cl)cc2c1C1(OC)CCCC1
InChIInChI=1S/C16H18ClNO3S/c1-3-21-15(19)14-13(16(20-2)6-4-5-7-16)10-8-12(17)18-9-11(10)22-14/h8-9H,3-7H2,1-2H3
InChIKeySBRSCTHLJOOUPK-UHFFFAOYSA-N
XLogP4.54
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate (CID 129175018) is ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1sc2cnc(Cl)cc2c1C1(OC)CCCC1.
What is the InChIKey of ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is SBRSCTHLJOOUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-21-15(19)14-13(16(20-2)6-4-5-7-16)10-8-12(17)18-9-11(10)22-14/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate?
ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 339.84 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-3-(1-methoxycyclopentyl)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 129175018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).