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

C15H13NO3S — CID 43452700

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19)
InChIKeyCGTQPHJVTUEXEE-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.64
Rot. Bonds2

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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid (PubChem CID 43452700) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
PubChem CID43452700
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1
InChIInChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19)
InChIKeyCGTQPHJVTUEXEE-UHFFFAOYSA-N
XLogP2.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-phenylbenzenesulfonamide
CID 41265423
2,3-dihydro-1,4-benzodioxin-6-yl(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 30454724
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzoic acid
CID 28604312
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-pyrazol-4-yl)methanone
CID 43582358
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 42470301
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777425
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1H-pyridin-2-one
CID 113257128
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 42470440
(1-benzylpyrazol-4-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 42470460
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18228022

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid (CID 43452700) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid is O=C(O)c1ccc(C(=O)N2CCc3sccc3C2)cc1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?
The InChIKey is CGTQPHJVTUEXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c17-14(10-1-3-11(4-2-10)15(18)19)16-7-5-13-12(9-16)6-8-20-13/h1-4,6,8H,5,7,9H2,(H,18,19).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid has a molecular weight of 287.34 g/mol, XLogP of 2.64, 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]pyridine-5-carbonyl)benzoic acid is sourced from PubChem (CID 43452700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).