2-(bromomethyl)naphthalene;hydrobromide

C11H10Br2 — CID 158623865

IUPAC2-(bromomethyl)naphthalene;hydrobromide
SMILESBr.BrCc1ccc2ccccc2c1
InChIInChI=1S/C11H9Br.BrH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2;1H
InChIKeyHYIMESUJDAPURM-UHFFFAOYSA-N
MW302.01 g/mol
LogP4.31
Rot. Bonds1

About 2-(bromomethyl)naphthalene;hydrobromide

2-(bromomethyl)naphthalene;hydrobromide (PubChem CID 158623865) has the molecular formula C11H10Br2 and a molecular weight of 302.01 g/mol. Its IUPAC name is 2-(bromomethyl)naphthalene;hydrobromide.

Molecular Properties

Compound Name2-(bromomethyl)naphthalene;hydrobromide
PubChem CID158623865
Molecular FormulaC11H10Br2
Molecular Weight302.01 g/mol
Exact Mass299.91
IUPAC Name2-(bromomethyl)naphthalene;hydrobromide
SMILESBr.BrCc1ccc2ccccc2c1
InChIInChI=1S/C11H9Br.BrH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2;1H
InChIKeyHYIMESUJDAPURM-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.01
LogP ≤ 54.31
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

2-bromobutane;2-(bromomethyl)naphthalene
CID 145476439
2-[[4-(bromomethyl)phenyl]sulfanylmethyl]naphthalene
CID 172559837
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
ethane;2-ethylnaphthalene
CID 90684887
2-[2-[4-(bromomethyl)phenyl]ethynyl]naphthalene
CID 170457112
2-[4-(bromomethyl)phenyl]sulfonylnaphthalene
CID 54331291
2-(bromomethyl)-7-fluoronaphthalene
CID 23292295
2-(bromomethyl)-7-methylnaphthalene
CID 13426568
7-(bromomethyl)naphthalen-2-amine
CID 118999524
2-benzylnaphthalene
CID 11948
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
CID 15863483
CID 15863483

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)naphthalene;hydrobromide?
The IUPAC name of 2-(bromomethyl)naphthalene;hydrobromide (CID 158623865) is 2-(bromomethyl)naphthalene;hydrobromide.
What is the SMILES notation for 2-(bromomethyl)naphthalene;hydrobromide?
The canonical SMILES for 2-(bromomethyl)naphthalene;hydrobromide is Br.BrCc1ccc2ccccc2c1.
What is the InChIKey of 2-(bromomethyl)naphthalene;hydrobromide?
The InChIKey is HYIMESUJDAPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br.BrH/c12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2;1H.
What are the key properties of 2-(bromomethyl)naphthalene;hydrobromide?
2-(bromomethyl)naphthalene;hydrobromide has a molecular weight of 302.01 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)naphthalene;hydrobromide is sourced from PubChem (CID 158623865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).