2-[(3-bromo-2-methylphenyl)methyl]indazole

C15H13BrN2 — CID 59375084

IUPAC2-[(3-bromo-2-methylphenyl)methyl]indazole
SMILESCc1c(Br)cccc1Cn1cc2ccccc2n1
InChIInChI=1S/C15H13BrN2/c1-11-12(6-4-7-14(11)16)9-18-10-13-5-2-3-8-15(13)17-18/h2-8,10H,9H2,1H3
InChIKeyGOGDRCFPJVXICZ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.16
Rot. Bonds2

About 2-[(3-bromo-2-methylphenyl)methyl]indazole

2-[(3-bromo-2-methylphenyl)methyl]indazole (PubChem CID 59375084) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)methyl]indazole.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)methyl]indazole
PubChem CID59375084
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name2-[(3-bromo-2-methylphenyl)methyl]indazole
SMILESCc1c(Br)cccc1Cn1cc2ccccc2n1
InChIInChI=1S/C15H13BrN2/c1-11-12(6-4-7-14(11)16)9-18-10-13-5-2-3-8-15(13)17-18/h2-8,10H,9H2,1H3
InChIKeyGOGDRCFPJVXICZ-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)methyl]indazole?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)methyl]indazole (CID 59375084) is 2-[(3-bromo-2-methylphenyl)methyl]indazole.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)methyl]indazole?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)methyl]indazole is Cc1c(Br)cccc1Cn1cc2ccccc2n1.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)methyl]indazole?
The InChIKey is GOGDRCFPJVXICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-12(6-4-7-14(11)16)9-18-10-13-5-2-3-8-15(13)17-18/h2-8,10H,9H2,1H3.
What are the key properties of 2-[(3-bromo-2-methylphenyl)methyl]indazole?
2-[(3-bromo-2-methylphenyl)methyl]indazole has a molecular weight of 301.19 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)methyl]indazole is sourced from PubChem (CID 59375084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).