4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid

C14H8ClNO2S — CID 70192137

IUPAC4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccc(Cl)cc3)cncc2s1
InChIInChI=1S/C14H8ClNO2S/c15-9-3-1-8(2-4-9)11-6-16-7-13-10(11)5-12(19-13)14(17)18/h1-7H,(H,17,18)
InChIKeyFMSAKEXCCKHRLQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.31
Rot. Bonds2

About 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid

4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 70192137) has the molecular formula C14H8ClNO2S and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID70192137
Molecular FormulaC14H8ClNO2S
Molecular Weight289.74 g/mol
Exact Mass289.00
IUPAC Name4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3ccc(Cl)cc3)cncc2s1
InChIInChI=1S/C14H8ClNO2S/c15-9-3-1-8(2-4-9)11-6-16-7-13-10(11)5-12(19-13)14(17)18/h1-7H,(H,17,18)
InChIKeyFMSAKEXCCKHRLQ-UHFFFAOYSA-N
XLogP4.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid (CID 70192137) is 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(-c3ccc(Cl)cc3)cncc2s1.
What is the InChIKey of 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is FMSAKEXCCKHRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2S/c15-9-3-1-8(2-4-9)11-6-16-7-13-10(11)5-12(19-13)14(17)18/h1-7H,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 70192137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).