4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid

C15H10IN3O2S — CID 173221568

IUPAC4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=NNc2nc(I)cc3sccc23)cc1
InChIInChI=1S/C15H10IN3O2S/c16-13-7-12-11(5-6-22-12)14(18-13)19-17-8-9-1-3-10(4-2-9)15(20)21/h1-8H,(H,18,19)(H,20,21)
InChIKeyUQAZQKSFUYPODY-UHFFFAOYSA-N
MW423.24 g/mol
LogP4.05
Rot. Bonds4

About 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid

4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid (PubChem CID 173221568) has the molecular formula C15H10IN3O2S and a molecular weight of 423.24 g/mol. Its IUPAC name is 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid
PubChem CID173221568
Molecular FormulaC15H10IN3O2S
Molecular Weight423.24 g/mol
Exact Mass422.95
IUPAC Name4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1ccc(C=NNc2nc(I)cc3sccc23)cc1
InChIInChI=1S/C15H10IN3O2S/c16-13-7-12-11(5-6-22-12)14(18-13)19-17-8-9-1-3-10(4-2-9)15(20)21/h1-8H,(H,18,19)(H,20,21)
InChIKeyUQAZQKSFUYPODY-UHFFFAOYSA-N
XLogP4.05
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.24
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-[[3-[(2E)-2-[(4-carboxyphenyl)methylidene]hydrazinyl]-6-methyl-1,2,4-triazin-5-yl]hydrazinylidene]methyl]benzoic acid
CID 45142933
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
4-(2-benzylidenehydrazinyl)benzoic acid
CID 66776702
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
1-benzothiophene-4,6-dicarboxylic acid
CID 139992435
4-[(2Z)-2-(thiophen-3-ylmethylidene)hydrazinyl]benzoic acid
CID 9013174
4-[[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 761739
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
4-[(E)-[[6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10201235
4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 9014672

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid (CID 173221568) is 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid is O=C(O)c1ccc(C=NNc2nc(I)cc3sccc23)cc1.
What is the InChIKey of 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is UQAZQKSFUYPODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10IN3O2S/c16-13-7-12-11(5-6-22-12)14(18-13)19-17-8-9-1-3-10(4-2-9)15(20)21/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid?
4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 423.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-iodothieno[3,2-c]pyridin-4-yl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 173221568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).