5-chloro-1-[(4-chlorophenyl)methyl]indazole

C14H10Cl2N2 — CID 59148107

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]indazole
SMILESClc1ccc(Cn2ncc3cc(Cl)ccc32)cc1
InChIInChI=1S/C14H10Cl2N2/c15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18/h1-8H,9H2
InChIKeyWSACWTHSSAWJNG-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.39
Rot. Bonds2

About 5-chloro-1-[(4-chlorophenyl)methyl]indazole

5-chloro-1-[(4-chlorophenyl)methyl]indazole (PubChem CID 59148107) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]indazole.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]indazole
PubChem CID59148107
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]indazole
SMILESClc1ccc(Cn2ncc3cc(Cl)ccc32)cc1
InChIInChI=1S/C14H10Cl2N2/c15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18/h1-8H,9H2
InChIKeyWSACWTHSSAWJNG-UHFFFAOYSA-N
XLogP4.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]indazole?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]indazole (CID 59148107) is 5-chloro-1-[(4-chlorophenyl)methyl]indazole.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]indazole?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]indazole is Clc1ccc(Cn2ncc3cc(Cl)ccc32)cc1.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]indazole?
The InChIKey is WSACWTHSSAWJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18/h1-8H,9H2.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]indazole?
5-chloro-1-[(4-chlorophenyl)methyl]indazole has a molecular weight of 277.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]indazole is sourced from PubChem (CID 59148107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).