6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane

C25H27Br3N6 — CID 157405483

IUPAC6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane
SMILESBrc1ccc2cn[nH]c2c1.C.C.Cn1cc2ccc(Br)cc2n1.Cn1ncc2ccc(Br)cc21
InChIInChI=1S/2C8H7BrN2.C7H5BrN2.2CH4/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-11-8-4-7(9)3-2-6(8)5-10-11;8-6-2-1-5-4-9-10-7(5)3-6;;/h2*2-5H,1H3;1-4H,(H,9,10);2*1H4
InChIKeyBNQZQBYZXCJBJK-UHFFFAOYSA-N
MW651.25 g/mol
LogP8.27
Rot. Bonds

About 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane

6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane (PubChem CID 157405483) has the molecular formula C25H27Br3N6 and a molecular weight of 651.25 g/mol. Its IUPAC name is 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane.

Molecular Properties

Compound Name6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane
PubChem CID157405483
Molecular FormulaC25H27Br3N6
Molecular Weight651.25 g/mol
Exact Mass647.98
IUPAC Name6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane
SMILESBrc1ccc2cn[nH]c2c1.C.C.Cn1cc2ccc(Br)cc2n1.Cn1ncc2ccc(Br)cc21
InChIInChI=1S/2C8H7BrN2.C7H5BrN2.2CH4/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-11-8-4-7(9)3-2-6(8)5-10-11;8-6-2-1-5-4-9-10-7(5)3-6;;/h2*2-5H,1H3;1-4H,(H,9,10);2*1H4
InChIKeyBNQZQBYZXCJBJK-UHFFFAOYSA-N
XLogP8.27
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.25
LogP ≤ 58.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-3-(1-methylpyrazol-4-yl)-1H-indazole
CID 164629071
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
N-benzyl-6-bromo-1H-indazol-4-amine
CID 134144512
6-bromo-N-[(4-methylphenyl)methyl]-1H-indazol-4-amine
CID 134155399
N-[(3-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
CID 146669411
N-[2-(4-aminophenyl)ethyl]-6-bromo-1H-indazol-4-amine
CID 146669423
N-[(2-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
CID 146669486
6-bromo-N-(pyridin-4-ylmethyl)-1H-indazol-4-amine
CID 146669492
N-[(4-aminophenyl)methyl]-6-bromo-1H-indazol-4-amine
CID 146669495
5-bromo-3-[(5-bromo-1H-indol-3-yl)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-1H-indole
CID 44419625
6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine
CID 155522594
6-bromo-N-(pyrrolidin-3-ylmethyl)-1H-indazol-4-amine
CID 168299724

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane?
The IUPAC name of 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane (CID 157405483) is 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane.
What is the SMILES notation for 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane?
The canonical SMILES for 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane is Brc1ccc2cn[nH]c2c1.C.C.Cn1cc2ccc(Br)cc2n1.Cn1ncc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane?
The InChIKey is BNQZQBYZXCJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7BrN2.C7H5BrN2.2CH4/c1-11-5-6-2-3-7(9)4-8(6)10-11;1-11-8-4-7(9)3-2-6(8)5-10-11;8-6-2-1-5-4-9-10-7(5)3-6;;/h2*2-5H,1H3;1-4H,(H,9,10);2*1H4.
What are the key properties of 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane?
6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane has a molecular weight of 651.25 g/mol, XLogP of 8.27, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-indazole;6-bromo-1-methylindazole;6-bromo-2-methylindazole;methane is sourced from PubChem (CID 157405483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).