5-bromo-2,7-dimethyl-3-propan-2-ylindazole

C12H15BrN2 — CID 135202536

IUPAC5-bromo-2,7-dimethyl-3-propan-2-ylindazole
SMILESCc1cc(Br)cc2c(C(C)C)n(C)nc12
InChIInChI=1S/C12H15BrN2/c1-7(2)12-10-6-9(13)5-8(3)11(10)14-15(12)4/h5-7H,1-4H3
InChIKeyBGWZDYKUNPXTGU-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.77
Rot. Bonds1

About 5-bromo-2,7-dimethyl-3-propan-2-ylindazole

5-bromo-2,7-dimethyl-3-propan-2-ylindazole (PubChem CID 135202536) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 5-bromo-2,7-dimethyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name5-bromo-2,7-dimethyl-3-propan-2-ylindazole
PubChem CID135202536
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name5-bromo-2,7-dimethyl-3-propan-2-ylindazole
SMILESCc1cc(Br)cc2c(C(C)C)n(C)nc12
InChIInChI=1S/C12H15BrN2/c1-7(2)12-10-6-9(13)5-8(3)11(10)14-15(12)4/h5-7H,1-4H3
InChIKeyBGWZDYKUNPXTGU-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6-trimethyl-3-propan-2-ylindazole
CID 165088488
2-methyl-3-propan-2-ylindazol-7-ol
CID 105444295
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
5-(4-bromo-2-methylphenoxy)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 66012953
3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117474567
1-(4-bromo-2-methyl-6-propan-2-ylphenyl)tetrazole
CID 163729444
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
6-bromo-2,4-dichloro-8-methylquinoline
CID 82581146
3,4-dichloro-1-methyl-5-propan-2-ylpyrazole
CID 20712563
5-bromo-3-ethyl-7-fluoro-2-methylindazole
CID 59514186
4-bromo-1-methyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 116858721
3,6-dibromo-1-methylindazole
CID 76846072

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,7-dimethyl-3-propan-2-ylindazole?
The IUPAC name of 5-bromo-2,7-dimethyl-3-propan-2-ylindazole (CID 135202536) is 5-bromo-2,7-dimethyl-3-propan-2-ylindazole.
What is the SMILES notation for 5-bromo-2,7-dimethyl-3-propan-2-ylindazole?
The canonical SMILES for 5-bromo-2,7-dimethyl-3-propan-2-ylindazole is Cc1cc(Br)cc2c(C(C)C)n(C)nc12.
What is the InChIKey of 5-bromo-2,7-dimethyl-3-propan-2-ylindazole?
The InChIKey is BGWZDYKUNPXTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-7(2)12-10-6-9(13)5-8(3)11(10)14-15(12)4/h5-7H,1-4H3.
What are the key properties of 5-bromo-2,7-dimethyl-3-propan-2-ylindazole?
5-bromo-2,7-dimethyl-3-propan-2-ylindazole has a molecular weight of 267.17 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,7-dimethyl-3-propan-2-ylindazole is sourced from PubChem (CID 135202536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).