4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid

C14H13NO2S — CID 28604312

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C14H13NO2S/c16-14(17)10-1-3-12(4-2-10)15-7-5-13-11(9-15)6-8-18-13/h1-4,6,8H,5,7,9H2,(H,16,17)
InChIKeyDQHXFKXVUDIRAS-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.01
Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid (PubChem CID 28604312) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
PubChem CID28604312
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3sccc3C2)cc1
InChIInChI=1S/C14H13NO2S/c16-14(17)10-1-3-12(4-2-10)15-7-5-13-11(9-15)6-8-18-13/h1-4,6,8H,5,7,9H2,(H,16,17)
InChIKeyDQHXFKXVUDIRAS-UHFFFAOYSA-N
XLogP3.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid (CID 28604312) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid is O=C(O)c1ccc(N2CCc3sccc3C2)cc1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
The InChIKey is DQHXFKXVUDIRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c16-14(17)10-1-3-12(4-2-10)15-7-5-13-11(9-15)6-8-18-13/h1-4,6,8H,5,7,9H2,(H,16,17).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid has a molecular weight of 259.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid is sourced from PubChem (CID 28604312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).