1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid

C15H10Cl2N2O2 — CID 3953

IUPAC1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-13-4-2-1-3-10(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyDGRMEXOCSJEPGJ-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.09
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid

1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid (PubChem CID 3953) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
PubChem CID3953
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12
InChIInChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-13-4-2-1-3-10(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21)
InChIKeyDGRMEXOCSJEPGJ-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid (CID 3953) is 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid?
The InChIKey is DGRMEXOCSJEPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-6-5-9(7-12(11)17)8-19-13-4-2-1-3-10(13)14(18-19)15(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid?
1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid has a molecular weight of 321.16 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]indazole-3-carboxylic acid is sourced from PubChem (CID 3953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).