6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole

C16H14BrClN2O — CID 118105222

IUPAC6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
SMILESCOc1cccc(Cl)c1Cn1nc(C)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrClN2O/c1-10-12-7-6-11(17)8-15(12)20(19-10)9-13-14(18)4-3-5-16(13)21-2/h3-8H,9H2,1-2H3
InChIKeyDQDWQQWTHVGAKT-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.82
Rot. Bonds3

About 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole

6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole (PubChem CID 118105222) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole.

Molecular Properties

Compound Name6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
PubChem CID118105222
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole
SMILESCOc1cccc(Cl)c1Cn1nc(C)c2ccc(Br)cc21
InChIInChI=1S/C16H14BrClN2O/c1-10-12-7-6-11(17)8-15(12)20(19-10)9-13-14(18)4-3-5-16(13)21-2/h3-8H,9H2,1-2H3
InChIKeyDQDWQQWTHVGAKT-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-3-methylindazole
CID 58796715
6-bromo-3-chloro-1-[(2,6-dimethylphenyl)methyl]indazole;ethane
CID 144560439
CID 162331827
CID 162331827
tert-butyl 2-[1-[(2-chloro-6-methylphenyl)methyl]-3-methylindazol-6-yl]acetate
CID 118215931
6-bromo-1-[(2,6-dimethylphenyl)methyl]-3-(trifluoromethyl)indazole
CID 118105185
tert-butyl N-[[2-[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]acetyl]amino]carbamate
CID 118237099
[[1-[(2,6-dichlorophenyl)methyl]-3-methylindazol-6-yl]-(2H-tetrazol-5-yl)methyl] acetate
CID 118120943
1-benzyl-5-bromo-3-[(3,4-dimethoxyphenyl)methyl]indazole
CID 118974280
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(2-chloro-6-methoxyphenyl)methanamine
CID 103292258
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoroaniline
CID 104815657
1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
CID 103293052
6-bromo-1,3-dimethylindazole;ethane
CID 145062136

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole?
The IUPAC name of 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole (CID 118105222) is 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole.
What is the SMILES notation for 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole?
The canonical SMILES for 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole is COc1cccc(Cl)c1Cn1nc(C)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole?
The InChIKey is DQDWQQWTHVGAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-10-12-7-6-11(17)8-15(12)20(19-10)9-13-14(18)4-3-5-16(13)21-2/h3-8H,9H2,1-2H3.
What are the key properties of 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole?
6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole has a molecular weight of 365.66 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-chloro-6-methoxyphenyl)methyl]-3-methylindazole is sourced from PubChem (CID 118105222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).