6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole

C15H11BrCl2N2 — CID 118105382

IUPAC6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole
SMILESCc1cccc(Cl)c1Cn1nc(Cl)c2ccc(Br)cc21
InChIInChI=1S/C15H11BrCl2N2/c1-9-3-2-4-13(17)12(9)8-20-14-7-10(16)5-6-11(14)15(18)19-20/h2-7H,8H2,1H3
InChIKeyHCFXCGZSMOVPER-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.46
Rot. Bonds2

About 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole

6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole (PubChem CID 118105382) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole.

Molecular Properties

Compound Name6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole
PubChem CID118105382
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole
SMILESCc1cccc(Cl)c1Cn1nc(Cl)c2ccc(Br)cc21
InChIInChI=1S/C15H11BrCl2N2/c1-9-3-2-4-13(17)12(9)8-20-14-7-10(16)5-6-11(14)15(18)19-20/h2-7H,8H2,1H3
InChIKeyHCFXCGZSMOVPER-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole?
The IUPAC name of 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole (CID 118105382) is 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole.
What is the SMILES notation for 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole?
The canonical SMILES for 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole is Cc1cccc(Cl)c1Cn1nc(Cl)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole?
The InChIKey is HCFXCGZSMOVPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c1-9-3-2-4-13(17)12(9)8-20-14-7-10(16)5-6-11(14)15(18)19-20/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole?
6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole has a molecular weight of 370.08 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-chloro-1-[(2-chloro-6-methylphenyl)methyl]indazole is sourced from PubChem (CID 118105382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).