6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane

C18H20BrClN2 — CID 144560439

IUPAC6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane
SMILESCC.Cc1cccc(C)c1Cn1nc(Cl)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrClN2.C2H6/c1-10-4-3-5-11(2)14(10)9-20-15-8-12(17)6-7-13(15)16(18)19-20;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyIUWBQXXOYVYNOX-UHFFFAOYSA-N
MW379.73 g/mol
LogP6.14
Rot. Bonds2

About 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane

6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane (PubChem CID 144560439) has the molecular formula C18H20BrClN2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane.

Molecular Properties

Compound Name6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane
PubChem CID144560439
Molecular FormulaC18H20BrClN2
Molecular Weight379.73 g/mol
Exact Mass378.05
IUPAC Name6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane
SMILESCC.Cc1cccc(C)c1Cn1nc(Cl)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrClN2.C2H6/c1-10-4-3-5-11(2)14(10)9-20-15-8-12(17)6-7-13(15)16(18)19-20;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyIUWBQXXOYVYNOX-UHFFFAOYSA-N
XLogP6.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.73
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-[(2,6-dimethylphenyl)methyl]-3-(trifluoromethyl)indazole
CID 118105185
6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
CID 118105222
2,7-dibromo-9-[(2-methylphenyl)methyl]carbazole
CID 134294519
potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate
CID 118105192
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
tert-butyl 2-[1-[(2-chloro-6-methylphenyl)methyl]-3-methylindazol-6-yl]acetate
CID 118215931
3-chloro-6-(2,5-dimethylpyrrol-1-yl)-1-ethylindazole
CID 132600580
3,6-dibromo-1-methylindazole
CID 76846072
1-benzyl-5-bromo-3-[(3-methylphenyl)methyl]indazole
CID 118960046
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
2-[(4-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 56604539
1-(3-chloro-1-ethylindazol-6-yl)ethanone
CID 84725186

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane?
The IUPAC name of 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane (CID 144560439) is 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane.
What is the SMILES notation for 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane?
The canonical SMILES for 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane is CC.Cc1cccc(C)c1Cn1nc(Cl)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane?
The InChIKey is IUWBQXXOYVYNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2.C2H6/c1-10-4-3-5-11(2)14(10)9-20-15-8-12(17)6-7-13(15)16(18)19-20;1-2/h3-8H,9H2,1-2H3;1-2H3.
What are the key properties of 6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane?
6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane has a molecular weight of 379.73 g/mol, XLogP of 6.14, 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-[(2,6-dimethylphenyl)methyl]indazole;ethane is sourced from PubChem (CID 144560439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).