5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde

C11H11BrClNO — CID 174526701

IUPAC5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCCN1Cc2cc(Br)cc(Cl)c2C1C=O
InChIInChI=1S/C11H11BrClNO/c1-2-14-5-7-3-8(12)4-9(13)11(7)10(14)6-15/h3-4,6,10H,2,5H2,1H3
InChIKeyFSVCQHKWUKDXDQ-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.18
Rot. Bonds2

About 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde

5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174526701) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174526701
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCCN1Cc2cc(Br)cc(Cl)c2C1C=O
InChIInChI=1S/C11H11BrClNO/c1-2-14-5-7-3-8(12)4-9(13)11(7)10(14)6-15/h3-4,6,10H,2,5H2,1H3
InChIKeyFSVCQHKWUKDXDQ-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-bromo-7-chloro-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-1-one
CID 130406400
5-bromo-7-chloro-2-(1,1,1-trifluoropropan-2-yl)-3H-isoindol-1-one
CID 154982985
5-Bromo-7-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174526546
5-Bromo-7-chloro-2-[(4-fluorophenyl)methyl]-1,3-dihydroisoindole-1-carbaldehyde
CID 174539930
5-Bromo-7-chloro-2-ethyl-2,3-dihydro-isoindol-1-one
CID 57949760
(S)-5-bromo-7-chloro-2-(1-cyclopropylethyl)isoindolin-1-one
CID 66933275
5-Bromo-7-chloro-2-cyclopropyl methyl-2,3-dihydro-isoindol-1-one
CID 67252460
5-bromo-7-chloro-2-(1-cyclopropylethyl)-3H-isoindol-1-one
CID 77200860
5-bromo-7-chloro-2-cyclopropyl-2-methyl-3H-isoindol-2-ium-1-one
CID 87325877
5-bromo-7-chloro-2-propan-2-yl-3H-isoindol-1-one
CID 130406419
5-bromo-2-tert-butyl-7-chloro-3H-isoindol-1-one
CID 130406512
5-bromo-7-chloro-2-[(2S)-3,3-dimethylbutan-2-yl]-3H-isoindol-1-one
CID 130406597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde (CID 174526701) is 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde is CCN1Cc2cc(Br)cc(Cl)c2C1C=O.
What is the InChIKey of 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is FSVCQHKWUKDXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-2-14-5-7-3-8(12)4-9(13)11(7)10(14)6-15/h3-4,6,10H,2,5H2,1H3.
What are the key properties of 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde?
5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 288.57 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-chloro-2-ethyl-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174526701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).