7-(bromomethyl)naphthalene-1-carbaldehyde

C12H9BrO — CID 118815566

IUPAC7-(bromomethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccc(CBr)cc12
InChIInChI=1S/C12H9BrO/c13-7-9-4-5-10-2-1-3-11(8-14)12(10)6-9/h1-6,8H,7H2
InChIKeyVTBWLIUOCLKKEL-UHFFFAOYSA-N
MW249.11 g/mol
LogP3.55
Rot. Bonds2

About 7-(bromomethyl)naphthalene-1-carbaldehyde

7-(bromomethyl)naphthalene-1-carbaldehyde (PubChem CID 118815566) has the molecular formula C12H9BrO and a molecular weight of 249.11 g/mol. Its IUPAC name is 7-(bromomethyl)naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-(bromomethyl)naphthalene-1-carbaldehyde
PubChem CID118815566
Molecular FormulaC12H9BrO
Molecular Weight249.11 g/mol
Exact Mass247.98
IUPAC Name7-(bromomethyl)naphthalene-1-carbaldehyde
SMILESO=Cc1cccc2ccc(CBr)cc12
InChIInChI=1S/C12H9BrO/c13-7-9-4-5-10-2-1-3-11(8-14)12(10)6-9/h1-6,8H,7H2
InChIKeyVTBWLIUOCLKKEL-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-methylnaphthalene-1-carbaldehyde
CID 15657410
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
7-ethoxynaphthalene-1-carbaldehyde
CID 123261144
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
2-[4-(bromomethyl)phenyl]quinoline-3-carbaldehyde
CID 170985763
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
2-[3-(bromomethyl)phenyl]pyridine-3-carbaldehyde
CID 82378817
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
6-aminophenanthrene-1-carbaldehyde
CID 140767754
6-hydroxyphenanthrene-1-carbaldehyde
CID 130176583
CID 174925205
CID 174925205

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)naphthalene-1-carbaldehyde?
The IUPAC name of 7-(bromomethyl)naphthalene-1-carbaldehyde (CID 118815566) is 7-(bromomethyl)naphthalene-1-carbaldehyde.
What is the SMILES notation for 7-(bromomethyl)naphthalene-1-carbaldehyde?
The canonical SMILES for 7-(bromomethyl)naphthalene-1-carbaldehyde is O=Cc1cccc2ccc(CBr)cc12.
What is the InChIKey of 7-(bromomethyl)naphthalene-1-carbaldehyde?
The InChIKey is VTBWLIUOCLKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrO/c13-7-9-4-5-10-2-1-3-11(8-14)12(10)6-9/h1-6,8H,7H2.
What are the key properties of 7-(bromomethyl)naphthalene-1-carbaldehyde?
7-(bromomethyl)naphthalene-1-carbaldehyde has a molecular weight of 249.11 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)naphthalene-1-carbaldehyde is sourced from PubChem (CID 118815566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).