2,6-bis(bromomethyl)naphthalene

C12H10Br2 — CID 3660010

IUPAC2,6-bis(bromomethyl)naphthalene
SMILESBrCc1ccc2cc(CBr)ccc2c1
InChIInChI=1S/C12H10Br2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6H,7-8H2
InChIKeyJRHSGFPVPTWMND-UHFFFAOYSA-N
MW314.02 g/mol
LogP4.63
Rot. Bonds2

About 2,6-bis(bromomethyl)naphthalene

2,6-bis(bromomethyl)naphthalene (PubChem CID 3660010) has the molecular formula C12H10Br2 and a molecular weight of 314.02 g/mol. Its IUPAC name is 2,6-bis(bromomethyl)naphthalene.

Molecular Properties

Compound Name2,6-bis(bromomethyl)naphthalene
PubChem CID3660010
Molecular FormulaC12H10Br2
Molecular Weight314.02 g/mol
Exact Mass311.91
IUPAC Name2,6-bis(bromomethyl)naphthalene
SMILESBrCc1ccc2cc(CBr)ccc2c1
InChIInChI=1S/C12H10Br2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6H,7-8H2
InChIKeyJRHSGFPVPTWMND-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.02
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Anthracene
CID 8418
Phenanthrene
CID 995
1-Methylnaphthalene
CID 7002
Acenaphthylene
CID 9161
2-Methylnaphthalene
CID 7055
2,6-Dimethylnaphthalene
CID 11387
1,6-Dimethylnaphthalene
CID 11328
1,4-Dimethylnaphthalene
CID 11304
2,6-Diisopropylnaphthalene
CID 32241
9,10-Dimethylanthracene
CID 13076
1,2-Dimethylnaphthalene
CID 11317
1-Methylphenanthrene
CID 13257

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(bromomethyl)naphthalene?
The IUPAC name of 2,6-bis(bromomethyl)naphthalene (CID 3660010) is 2,6-bis(bromomethyl)naphthalene.
What is the SMILES notation for 2,6-bis(bromomethyl)naphthalene?
The canonical SMILES for 2,6-bis(bromomethyl)naphthalene is BrCc1ccc2cc(CBr)ccc2c1.
What is the InChIKey of 2,6-bis(bromomethyl)naphthalene?
The InChIKey is JRHSGFPVPTWMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2/c13-7-9-1-3-11-6-10(8-14)2-4-12(11)5-9/h1-6H,7-8H2.
What are the key properties of 2,6-bis(bromomethyl)naphthalene?
2,6-bis(bromomethyl)naphthalene has a molecular weight of 314.02 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(bromomethyl)naphthalene is sourced from PubChem (CID 3660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).