2-bromo-4-indazol-2-ylbenzonitrile

C14H8BrN3 — CID 138744028

IUPAC2-bromo-4-indazol-2-ylbenzonitrile
SMILESN#Cc1ccc(-n2cc3ccccc3n2)cc1Br
InChIInChI=1S/C14H8BrN3/c15-13-7-12(6-5-10(13)8-16)18-9-11-3-1-2-4-14(11)17-18/h1-7,9H
InChIKeySACHNZBQPZHNPL-UHFFFAOYSA-N
MW298.14 g/mol
LogP3.66
Rot. Bonds1

About 2-bromo-4-indazol-2-ylbenzonitrile

2-bromo-4-indazol-2-ylbenzonitrile (PubChem CID 138744028) has the molecular formula C14H8BrN3 and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-bromo-4-indazol-2-ylbenzonitrile.

Molecular Properties

Compound Name2-bromo-4-indazol-2-ylbenzonitrile
PubChem CID138744028
Molecular FormulaC14H8BrN3
Molecular Weight298.14 g/mol
Exact Mass296.99
IUPAC Name2-bromo-4-indazol-2-ylbenzonitrile
SMILESN#Cc1ccc(-n2cc3ccccc3n2)cc1Br
InChIInChI=1S/C14H8BrN3/c15-13-7-12(6-5-10(13)8-16)18-9-11-3-1-2-4-14(11)17-18/h1-7,9H
InChIKeySACHNZBQPZHNPL-UHFFFAOYSA-N
XLogP3.66
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(4-methylpyrazol-1-yl)benzonitrile
CID 107276849
2-bromo-4-(2,5-dihydropyrrol-1-yl)benzonitrile
CID 130160926
2-[4-(trifluoromethyl)phenyl]indazole
CID 1214779
2-bromo-4-(4-phenylpiperazin-1-yl)benzonitrile
CID 107275801
1-(3-bromo-4-cyanophenyl)imidazole-4-carboxylic acid
CID 107281325
2-bromo-4-(4,5-dimethylimidazol-1-yl)benzonitrile
CID 107276857
2-bromo-4-(2-pyridin-4-ylpyrrol-1-yl)benzonitrile
CID 134478998
5-fluoro-3-indazol-2-yl-2-pyridin-3-ylbenzonitrile
CID 139392865
1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
2-bromo-4-[2-(4-chlorophenyl)pyrrol-1-yl]benzonitrile
CID 134478970
2-bromo-4-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 107276523
6-chloro-2-phenylindazole
CID 58529873

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-indazol-2-ylbenzonitrile?
The IUPAC name of 2-bromo-4-indazol-2-ylbenzonitrile (CID 138744028) is 2-bromo-4-indazol-2-ylbenzonitrile.
What is the SMILES notation for 2-bromo-4-indazol-2-ylbenzonitrile?
The canonical SMILES for 2-bromo-4-indazol-2-ylbenzonitrile is N#Cc1ccc(-n2cc3ccccc3n2)cc1Br.
What is the InChIKey of 2-bromo-4-indazol-2-ylbenzonitrile?
The InChIKey is SACHNZBQPZHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrN3/c15-13-7-12(6-5-10(13)8-16)18-9-11-3-1-2-4-14(11)17-18/h1-7,9H.
What are the key properties of 2-bromo-4-indazol-2-ylbenzonitrile?
2-bromo-4-indazol-2-ylbenzonitrile has a molecular weight of 298.14 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-indazol-2-ylbenzonitrile is sourced from PubChem (CID 138744028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).