1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid

C16H10Cl2F2N2O2 — CID 11667849

IUPAC1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)F)ccc12
InChIInChI=1S/C16H10Cl2F2N2O2/c17-10-3-1-9(12(18)6-10)7-22-13-5-8(15(19)20)2-4-11(13)14(21-22)16(23)24/h1-6,15H,7H2,(H,23,24)
InChIKeyAYENPKPHSRMRLF-UHFFFAOYSA-N
MW371.17 g/mol
LogP5.03
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid (PubChem CID 11667849) has the molecular formula C16H10Cl2F2N2O2 and a molecular weight of 371.17 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid
PubChem CID11667849
Molecular FormulaC16H10Cl2F2N2O2
Molecular Weight371.17 g/mol
Exact Mass370.01
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)F)ccc12
InChIInChI=1S/C16H10Cl2F2N2O2/c17-10-3-1-9(12(18)6-10)7-22-13-5-8(15(19)20)2-4-11(13)14(21-22)16(23)24/h1-6,15H,7H2,(H,23,24)
InChIKeyAYENPKPHSRMRLF-UHFFFAOYSA-N
XLogP5.03
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.17
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid (CID 11667849) is 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)F)ccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid?
The InChIKey is AYENPKPHSRMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F2N2O2/c17-10-3-1-9(12(18)6-10)7-22-13-5-8(15(19)20)2-4-11(13)14(21-22)16(23)24/h1-6,15H,7H2,(H,23,24).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-6-(difluoromethyl)indazole-3-carboxylic acid has a molecular weight of 371.17 g/mol, XLogP of 5.03, 4 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]-6-(difluoromethyl)indazole-3-carboxylic acid is sourced from PubChem (CID 11667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).