4-bromo-5-methyl-1-phenylindazole

C14H11BrN2 — CID 74888869

IUPAC4-bromo-5-methyl-1-phenylindazole
SMILESCc1ccc2c(cnn2-c2ccccc2)c1Br
InChIInChI=1S/C14H11BrN2/c1-10-7-8-13-12(14(10)15)9-16-17(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyIDVHAILBAXYLBH-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds1

About 4-bromo-5-methyl-1-phenylindazole

4-bromo-5-methyl-1-phenylindazole (PubChem CID 74888869) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-phenylindazole.

Molecular Properties

Compound Name4-bromo-5-methyl-1-phenylindazole
PubChem CID74888869
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name4-bromo-5-methyl-1-phenylindazole
SMILESCc1ccc2c(cnn2-c2ccccc2)c1Br
InChIInChI=1S/C14H11BrN2/c1-10-7-8-13-12(14(10)15)9-16-17(13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyIDVHAILBAXYLBH-UHFFFAOYSA-N
XLogP4.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-methyl-1-phenylindazole
CID 11818523
3-(4-methylphenyl)-10-phenylpyrazolo[4,5-a]carbazole
CID 163617789
3,3'-diphenyl-10,10'-spirobi[indeno[2,1-e]indazole]
CID 129308481
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
4-hydroxy-1-phenylindazole-6-carbonitrile
CID 151204276
(5-nitro-1-phenylindazol-4-yl)boronic acid
CID 142737459
1-phenylindazol-5-amine
CID 83414114
4,7-difluoro-6-methyl-1-(4-phenylphenyl)indazole
CID 163233433
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylpyrazolo[4,5-a]carbazole
CID 90231417
5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4902245
4-(2,2-dimethylpropyl)-5-methyl-1-phenylpyrazole
CID 59743779

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1-phenylindazole?
The IUPAC name of 4-bromo-5-methyl-1-phenylindazole (CID 74888869) is 4-bromo-5-methyl-1-phenylindazole.
What is the SMILES notation for 4-bromo-5-methyl-1-phenylindazole?
The canonical SMILES for 4-bromo-5-methyl-1-phenylindazole is Cc1ccc2c(cnn2-c2ccccc2)c1Br.
What is the InChIKey of 4-bromo-5-methyl-1-phenylindazole?
The InChIKey is IDVHAILBAXYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c1-10-7-8-13-12(14(10)15)9-16-17(13)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 4-bromo-5-methyl-1-phenylindazole?
4-bromo-5-methyl-1-phenylindazole has a molecular weight of 287.16 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1-phenylindazole is sourced from PubChem (CID 74888869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).