methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate

C15H10ClNO3S — CID 10892544

IUPACmethyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
InChIInChI=1S/C15H10ClNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyNKKXCHDYSRERQN-UHFFFAOYSA-N
MW319.77 g/mol
LogP4.53
Rot. Bonds3

About methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate

methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate (PubChem CID 10892544) has the molecular formula C15H10ClNO3S and a molecular weight of 319.77 g/mol. Its IUPAC name is methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate
PubChem CID10892544
Molecular FormulaC15H10ClNO3S
Molecular Weight319.77 g/mol
Exact Mass319.01
IUPAC Namemethyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1
InChIInChI=1S/C15H10ClNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyNKKXCHDYSRERQN-UHFFFAOYSA-N
XLogP4.53
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate (CID 10892544) is methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate is COC(=O)c1cc2c(Oc3ccc(Cl)cc3)cncc2s1.
What is the InChIKey of methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
The InChIKey is NKKXCHDYSRERQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3S/c1-19-15(18)13-6-11-12(7-17-8-14(11)21-13)20-10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate?
methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate has a molecular weight of 319.77 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenoxy)thieno[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 10892544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).