4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid

C17H9Cl2NO3S — CID 110172928

IUPAC4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H9Cl2NO3S/c18-11-7-9(10(17(22)23)8-12(11)19)16(21)15-5-4-14(24-15)13-3-1-2-6-20-13/h1-8H,(H,22,23)
InChIKeyQOCBLNXNYBILDM-UHFFFAOYSA-N
MW378.24 g/mol
LogP5.05
Rot. Bonds4

About 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid

4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid (PubChem CID 110172928) has the molecular formula C17H9Cl2NO3S and a molecular weight of 378.24 g/mol. Its IUPAC name is 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
PubChem CID110172928
Molecular FormulaC17H9Cl2NO3S
Molecular Weight378.24 g/mol
Exact Mass376.97
IUPAC Name4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C17H9Cl2NO3S/c18-11-7-9(10(17(22)23)8-12(11)19)16(21)15-5-4-14(24-15)13-3-1-2-6-20-13/h1-8H,(H,22,23)
InChIKeyQOCBLNXNYBILDM-UHFFFAOYSA-N
XLogP5.05
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.24
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
CID 110172938
5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
CID 169026548
2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
CID 2776201
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
S-[2-oxo-2-(5-pyridin-2-ylthiophen-2-yl)ethyl] ethanethioate
CID 11242886
4-chloro-5-phenyl-2-pyridin-2-ylbenzoic acid
CID 68955463
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
3-(chloromethyl)-5-pyridin-2-ylthiophene-2-carboxylic acid
CID 58387719
7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid
CID 142776089
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid?
The IUPAC name of 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid (CID 110172928) is 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid?
The canonical SMILES for 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid is O=C(O)c1cc(Cl)c(Cl)cc1C(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid?
The InChIKey is QOCBLNXNYBILDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2NO3S/c18-11-7-9(10(17(22)23)8-12(11)19)16(21)15-5-4-14(24-15)13-3-1-2-6-20-13/h1-8H,(H,22,23).
What are the key properties of 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid?
4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid has a molecular weight of 378.24 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid is sourced from PubChem (CID 110172928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).