1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid

C15H9Cl2IN2O2 — CID 71216306

IUPAC1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(I)cc12
InChIInChI=1S/C15H9Cl2IN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-4-3-10(18)6-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyHVUTZOXGSUYKTR-UHFFFAOYSA-N
MW447.06 g/mol
LogP4.69
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid (PubChem CID 71216306) has the molecular formula C15H9Cl2IN2O2 and a molecular weight of 447.06 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
PubChem CID71216306
Molecular FormulaC15H9Cl2IN2O2
Molecular Weight447.06 g/mol
Exact Mass445.91
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(I)cc12
InChIInChI=1S/C15H9Cl2IN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-4-3-10(18)6-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyHVUTZOXGSUYKTR-UHFFFAOYSA-N
XLogP4.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.06
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-5-(trifluoromethoxy)indazole-3-carboxylic acid
CID 66888757
1-[(2,4-dichlorophenyl)methyl]-6-(hydroxymethyl)indazole-3-carboxylic acid
CID 11696000
1-[(2,4-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 11638366
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]prop-2-enoic acid
CID 67610724
azane;1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylic acid;dichloroplatinum(2+);bis(hexanoate)
CID 53255360
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
1-[(4-chloro-2-fluorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
CID 66888571
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]indazole-3-carboxylic acid
CID 58796837
1-[(4-chloro-2-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11666981
1-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]nonan-1-one;hydrobromide
CID 160720537
1-[(2-chloro-4-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid
CID 11602268

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid (CID 71216306) is 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccc(I)cc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid?
The InChIKey is HVUTZOXGSUYKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-4-3-10(18)6-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid has a molecular weight of 447.06 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-5-iodoindazole-3-carboxylic acid is sourced from PubChem (CID 71216306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).