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

C20H13NO2S — CID 25218750

IUPAC4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2s1
InChIInChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeyFHBDMVQPDQSYLR-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.33
Rot. Bonds3

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

4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 25218750) has the molecular formula C20H13NO2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID25218750
Molecular FormulaC20H13NO2S
Molecular Weight331.40 g/mol
Exact Mass331.07
IUPAC Name4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2s1
InChIInChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)
InChIKeyFHBDMVQPDQSYLR-UHFFFAOYSA-N
XLogP5.33
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-ylamino)-
CID 25218747
7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 25218755
4-(3-Phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218751
3-[2-[(4-Methylcyclohexylidene)methyl]-3-pyridinyl]-5-phenylthiophene-2-carboxylic acid
CID 49863000
3-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10202996
2-Cyclopentyl-4-(5-phenylthieno[2,3-b]pyridin-3-yl)benzoic acid
CID 164627632
3-Phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 3751878
5-pyridin-3-ylthiophene-2-carboxylic Acid
CID 4739100
4-p-Tolylsulfanyl-thieno[2,3-c]pyridine-2-carboxylic acid methyl ester
CID 9818339
4-(p-Tolylthio)thieno[2,3-c]pyridine-2-carboxylic acid
CID 9948311
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
4-Bromothieno(2,3-c)pyridine-2-carboxylic acid
CID 20594208

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid (CID 25218750) is 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(-c3cccc(-c4ccccc4)c3)cncc2s1.
What is the InChIKey of 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is FHBDMVQPDQSYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2S/c22-20(23)18-10-16-17(11-21-12-19(16)24-18)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-12H,(H,22,23).
What are the key properties of 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 331.40 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 25218750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).