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

C15H9Cl2FN2O2 — CID 11652993

IUPAC1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12
InChIInChI=1S/C15H9Cl2FN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(18)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyNSTZEOVWGNLUNK-UHFFFAOYSA-N
MW339.15 g/mol
LogP4.23
Rot. Bonds3

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

1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid (PubChem CID 11652993) has the molecular formula C15H9Cl2FN2O2 and a molecular weight of 339.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
PubChem CID11652993
Molecular FormulaC15H9Cl2FN2O2
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid
SMILESO=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12
InChIInChI=1S/C15H9Cl2FN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(18)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22)
InChIKeyNSTZEOVWGNLUNK-UHFFFAOYSA-N
XLogP4.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 54.23
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-fluoroindazole-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid (CID 11652993) is 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid is O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(F)ccc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
The InChIKey is NSTZEOVWGNLUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O2/c16-9-2-1-8(12(17)5-9)7-20-13-6-10(18)3-4-11(13)14(19-20)15(21)22/h1-6H,7H2,(H,21,22).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-6-fluoroindazole-3-carboxylic acid has a molecular weight of 339.15 g/mol, XLogP of 4.23, 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]-6-fluoroindazole-3-carboxylic acid is sourced from PubChem (CID 11652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).