5-bromo-2,3-dihydro-1H-indole-7-carbonitrile

C9H7BrN2 — CID 68605986

IUPAC5-bromo-2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cc(Br)cc2c1NCC2
InChIInChI=1S/C9H7BrN2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,12H,1-2H2
InChIKeyNSNZIYHARLCXJN-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.29
Rot. Bonds

About 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile

5-bromo-2,3-dihydro-1H-indole-7-carbonitrile (PubChem CID 68605986) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-indole-7-carbonitrile
PubChem CID68605986
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromo-2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cc(Br)cc2c1NCC2
InChIInChI=1S/C9H7BrN2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,12H,1-2H2
InChIKeyNSNZIYHARLCXJN-UHFFFAOYSA-N
XLogP2.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromoindoline
CID 3411566
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 40815975
2,3-dihydro-1H-indole-7-carbonitrile
CID 4188047
(2R)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 11984031
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indole
CID 11183719
5-bromo-7-fluoro-2,3-dihydro-1H-indole
CID 16792689
5'-Bromo-1',2'-dihydrospiro(cyclopentane-1,3'-indole)
CID 54593900
2-[(4aS,9aS)-6-bromo-4-methylidene-2,3,9,9a-tetrahydro-1H-carbazol-4a-yl]ethanamine
CID 90677416
5-bromo-3,3-dimethyl-2,3-dihydro-1H-indole hydrochloride
CID 24992965
5-bromo-2,3-dihydro-1H-indole hydrochloride
CID 57370238
2-[(4aS,9aS)-6-bromo-8-fluoro-4-methylidene-2,3,9,9a-tetrahydro-1H-carbazol-4a-yl]ethanamine
CID 90677417
6-Bromo-2,3,4,4a,9,9a-hexahydro-1H-Carbazole
CID 82276816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile?
The IUPAC name of 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile (CID 68605986) is 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile is N#Cc1cc(Br)cc2c1NCC2.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile?
The InChIKey is NSNZIYHARLCXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-4,12H,1-2H2.
What are the key properties of 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile?
5-bromo-2,3-dihydro-1H-indole-7-carbonitrile has a molecular weight of 223.07 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-indole-7-carbonitrile is sourced from PubChem (CID 68605986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).