5-bromo-3H-indene-1-carbaldehyde

C10H7BrO — CID 153016334

IUPAC5-bromo-3H-indene-1-carbaldehyde
SMILESO=CC1=CCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrO/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h2-6H,1H2
InChIKeyVBBAZUKUYIJUIO-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.59
Rot. Bonds1

About 5-bromo-3H-indene-1-carbaldehyde

5-bromo-3H-indene-1-carbaldehyde (PubChem CID 153016334) has the molecular formula C10H7BrO and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromo-3H-indene-1-carbaldehyde.

Molecular Properties

Compound Name5-bromo-3H-indene-1-carbaldehyde
PubChem CID153016334
Molecular FormulaC10H7BrO
Molecular Weight223.07 g/mol
Exact Mass221.97
IUPAC Name5-bromo-3H-indene-1-carbaldehyde
SMILESO=CC1=CCc2cc(Br)ccc21
InChIInChI=1S/C10H7BrO/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h2-6H,1H2
InChIKeyVBBAZUKUYIJUIO-UHFFFAOYSA-N
XLogP2.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-bromo-2,3-dihydroinden-1-one
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6-methoxy-3,4-dihydronaphthalene-1-carbaldehyde
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6-bromo-1,4-dihydronaphthalene
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5-bromo-2-pyrrolidin-1-ylbenzaldehyde
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3,6-dibromo-9H-fluorene;3,6-dibromofluoren-9-one;methane
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1-(8-bromo-1,2,3,6-tetrahydrochrysen-3-yl)ethanone
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5-(4-bromo-2-hydroxyphenyl)furan-2-carbaldehyde
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7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
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3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3H-indene-1-carbaldehyde?
The IUPAC name of 5-bromo-3H-indene-1-carbaldehyde (CID 153016334) is 5-bromo-3H-indene-1-carbaldehyde.
What is the SMILES notation for 5-bromo-3H-indene-1-carbaldehyde?
The canonical SMILES for 5-bromo-3H-indene-1-carbaldehyde is O=CC1=CCc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3H-indene-1-carbaldehyde?
The InChIKey is VBBAZUKUYIJUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h2-6H,1H2.
What are the key properties of 5-bromo-3H-indene-1-carbaldehyde?
5-bromo-3H-indene-1-carbaldehyde has a molecular weight of 223.07 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3H-indene-1-carbaldehyde is sourced from PubChem (CID 153016334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).