5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C15H11ClN2O2S — CID 62944834

IUPAC5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(N2CCc3sccc3C2C(=O)O)cc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-12-7-10(2-1-9(12)8-17)18-5-3-13-11(4-6-21-13)14(18)15(19)20/h1-2,4,6-7,14H,3,5H2,(H,19,20)
InChIKeyDSKOQNXMFOFIEE-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.46
Rot. Bonds2

About 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 62944834) has the molecular formula C15H11ClN2O2S and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID62944834
Molecular FormulaC15H11ClN2O2S
Molecular Weight318.79 g/mol
Exact Mass318.02
IUPAC Name5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESN#Cc1ccc(N2CCc3sccc3C2C(=O)O)cc1Cl
InChIInChI=1S/C15H11ClN2O2S/c16-12-7-10(2-1-9(12)8-17)18-5-3-13-11(4-6-21-13)14(18)15(19)20/h1-2,4,6-7,14H,3,5H2,(H,19,20)
InChIKeyDSKOQNXMFOFIEE-UHFFFAOYSA-N
XLogP3.46
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 62944834) is 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is N#Cc1ccc(N2CCc3sccc3C2C(=O)O)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is DSKOQNXMFOFIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2S/c16-12-7-10(2-1-9(12)8-17)18-5-3-13-11(4-6-21-13)14(18)15(19)20/h1-2,4,6-7,14H,3,5H2,(H,19,20).
What are the key properties of 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 318.79 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-cyanophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 62944834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).