methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

C16H12ClNO3S — CID 1475832

IUPACmethyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-3-2-8-18-15(12)22-14)21-9-10-4-6-11(17)7-5-10/h2-8H,9H2,1H3
InChIKeyQRODVXNPOFBKHF-UHFFFAOYSA-N
MW333.80 g/mol
LogP4.32
Rot. Bonds4

About methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate

methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 1475832) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
PubChem CID1475832
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Namemethyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-3-2-8-18-15(12)22-14)21-9-10-4-6-11(17)7-5-10/h2-8H,9H2,1H3
InChIKeyQRODVXNPOFBKHF-UHFFFAOYSA-N
XLogP4.32
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate (CID 1475832) is methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is COC(=O)c1sc2ncccc2c1OCc1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is QRODVXNPOFBKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c1-20-16(19)14-13(12-3-2-8-18-15(12)22-14)21-9-10-4-6-11(17)7-5-10/h2-8H,9H2,1H3.
What are the key properties of methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate?
methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 333.80 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-chlorophenyl)methoxy]thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 1475832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).