3-(chloromethyl)-1-(4-chlorophenyl)indazole

C14H10Cl2N2 — CID 69193240

IUPAC3-(chloromethyl)-1-(4-chlorophenyl)indazole
SMILESClCc1nn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H10Cl2N2/c15-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(16)6-8-11/h1-8H,9H2
InChIKeyMROGGBPZFKUGKI-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.42
Rot. Bonds2

About 3-(chloromethyl)-1-(4-chlorophenyl)indazole

3-(chloromethyl)-1-(4-chlorophenyl)indazole (PubChem CID 69193240) has the molecular formula C14H10Cl2N2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(4-chlorophenyl)indazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-(4-chlorophenyl)indazole
PubChem CID69193240
Molecular FormulaC14H10Cl2N2
Molecular Weight277.15 g/mol
Exact Mass276.02
IUPAC Name3-(chloromethyl)-1-(4-chlorophenyl)indazole
SMILESClCc1nn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H10Cl2N2/c15-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(16)6-8-11/h1-8H,9H2
InChIKeyMROGGBPZFKUGKI-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(4-chlorophenyl)indazole?
The IUPAC name of 3-(chloromethyl)-1-(4-chlorophenyl)indazole (CID 69193240) is 3-(chloromethyl)-1-(4-chlorophenyl)indazole.
What is the SMILES notation for 3-(chloromethyl)-1-(4-chlorophenyl)indazole?
The canonical SMILES for 3-(chloromethyl)-1-(4-chlorophenyl)indazole is ClCc1nn(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 3-(chloromethyl)-1-(4-chlorophenyl)indazole?
The InChIKey is MROGGBPZFKUGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2/c15-9-13-12-3-1-2-4-14(12)18(17-13)11-7-5-10(16)6-8-11/h1-8H,9H2.
What are the key properties of 3-(chloromethyl)-1-(4-chlorophenyl)indazole?
3-(chloromethyl)-1-(4-chlorophenyl)indazole has a molecular weight of 277.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(4-chlorophenyl)indazole is sourced from PubChem (CID 69193240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).