4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid

C14H9ClN2O2S — CID 53316657

IUPAC4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H9ClN2O2S/c15-8-2-1-3-9(6-8)16-13-10-4-5-20-12(10)7-11(17-13)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyBPACDDAAERACRZ-UHFFFAOYSA-N
MW304.76 g/mol
LogP4.39
Rot. Bonds3

About 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid

4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid (PubChem CID 53316657) has the molecular formula C14H9ClN2O2S and a molecular weight of 304.76 g/mol. Its IUPAC name is 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
PubChem CID53316657
Molecular FormulaC14H9ClN2O2S
Molecular Weight304.76 g/mol
Exact Mass304.01
IUPAC Name4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc2sccc2c(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H9ClN2O2S/c15-8-2-1-3-9(6-8)16-13-10-4-5-20-12(10)7-11(17-13)14(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyBPACDDAAERACRZ-UHFFFAOYSA-N
XLogP4.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.76
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid (CID 53316657) is 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid is O=C(O)c1cc2sccc2c(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
The InChIKey is BPACDDAAERACRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2S/c15-8-2-1-3-9(6-8)16-13-10-4-5-20-12(10)7-11(17-13)14(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid?
4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid has a molecular weight of 304.76 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)thieno[3,2-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 53316657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).