6-bromo-2-fluoro-3-isocyanonaphthalene

C11H5BrFN — CID 170518314

IUPAC6-bromo-2-fluoro-3-isocyanonaphthalene
SMILES[C-]#[N+]c1cc2cc(Br)ccc2cc1F
InChIInChI=1S/C11H5BrFN/c1-14-11-6-8-4-9(12)3-2-7(8)5-10(11)13/h2-6H
InChIKeyGUSRHCCFNGJOCP-UHFFFAOYSA-N
MW250.07 g/mol
LogP4.29
Rot. Bonds

About 6-bromo-2-fluoro-3-isocyanonaphthalene

6-bromo-2-fluoro-3-isocyanonaphthalene (PubChem CID 170518314) has the molecular formula C11H5BrFN and a molecular weight of 250.07 g/mol. Its IUPAC name is 6-bromo-2-fluoro-3-isocyanonaphthalene.

Molecular Properties

Compound Name6-bromo-2-fluoro-3-isocyanonaphthalene
PubChem CID170518314
Molecular FormulaC11H5BrFN
Molecular Weight250.07 g/mol
Exact Mass248.96
IUPAC Name6-bromo-2-fluoro-3-isocyanonaphthalene
SMILES[C-]#[N+]c1cc2cc(Br)ccc2cc1F
InChIInChI=1S/C11H5BrFN/c1-14-11-6-8-4-9(12)3-2-7(8)5-10(11)13/h2-6H
InChIKeyGUSRHCCFNGJOCP-UHFFFAOYSA-N
XLogP4.29
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-dibromonaphthalene
CID 640591
4-bromo-1-isocyano-2-(trifluoromethyl)benzene
CID 66524052
2-bromonaphthalene
CID 50940586
2-bromo-6-chloroanthracene
CID 22728523
4-bromo-1-(bromomethyl)-2-isocyanobenzene
CID 164717115
2-bromo-6-methylsulfanylnaphthalene
CID 22018449
6-fluoro-5-isocyano-1H-indazole
CID 59148125
5-bromo-2-isocyanobenzonitrile
CID 84674771
2-bromo-6-[bromo-(4-bromophenyl)methyl]naphthalene
CID 115354335
5-bromo-2-isocyano-1H-indole
CID 170538116
7-bromo-3-fluoroquinolin-2-amine
CID 126637279
4-bromo-2-isocyano-1-(2,2,2-trifluoroethoxy)benzene
CID 58516372

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-fluoro-3-isocyanonaphthalene?
The IUPAC name of 6-bromo-2-fluoro-3-isocyanonaphthalene (CID 170518314) is 6-bromo-2-fluoro-3-isocyanonaphthalene.
What is the SMILES notation for 6-bromo-2-fluoro-3-isocyanonaphthalene?
The canonical SMILES for 6-bromo-2-fluoro-3-isocyanonaphthalene is [C-]#[N+]c1cc2cc(Br)ccc2cc1F.
What is the InChIKey of 6-bromo-2-fluoro-3-isocyanonaphthalene?
The InChIKey is GUSRHCCFNGJOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN/c1-14-11-6-8-4-9(12)3-2-7(8)5-10(11)13/h2-6H.
What are the key properties of 6-bromo-2-fluoro-3-isocyanonaphthalene?
6-bromo-2-fluoro-3-isocyanonaphthalene has a molecular weight of 250.07 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-fluoro-3-isocyanonaphthalene is sourced from PubChem (CID 170518314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).