6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole

C15H12BrClN2 — CID 59148151

IUPAC6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
SMILESCc1cc2cnn(Cc3ccc(Cl)cc3)c2cc1Br
InChIInChI=1S/C15H12BrClN2/c1-10-6-12-8-18-19(15(12)7-14(10)16)9-11-2-4-13(17)5-3-11/h2-8H,9H2,1H3
InChIKeyFXRNADABIUXSDK-UHFFFAOYSA-N
MW335.63 g/mol
LogP4.81
Rot. Bonds2

About 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole

6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole (PubChem CID 59148151) has the molecular formula C15H12BrClN2 and a molecular weight of 335.63 g/mol. Its IUPAC name is 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole.

Molecular Properties

Compound Name6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
PubChem CID59148151
Molecular FormulaC15H12BrClN2
Molecular Weight335.63 g/mol
Exact Mass333.99
IUPAC Name6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
SMILESCc1cc2cnn(Cc3ccc(Cl)cc3)c2cc1Br
InChIInChI=1S/C15H12BrClN2/c1-10-6-12-8-18-19(15(12)7-14(10)16)9-11-2-4-13(17)5-3-11/h2-8H,9H2,1H3
InChIKeyFXRNADABIUXSDK-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole?
The IUPAC name of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole (CID 59148151) is 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole.
What is the SMILES notation for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole?
The canonical SMILES for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole is Cc1cc2cnn(Cc3ccc(Cl)cc3)c2cc1Br.
What is the InChIKey of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole?
The InChIKey is FXRNADABIUXSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2/c1-10-6-12-8-18-19(15(12)7-14(10)16)9-11-2-4-13(17)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole?
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole has a molecular weight of 335.63 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole is sourced from PubChem (CID 59148151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).