6-bromo-4-fluoronaphthalen-2-amine

C10H7BrFN — CID 115043475

IUPAC6-bromo-4-fluoronaphthalen-2-amine
SMILESNc1cc(F)c2cc(Br)ccc2c1
InChIInChI=1S/C10H7BrFN/c11-7-2-1-6-3-8(13)5-10(12)9(6)4-7/h1-5H,13H2
InChIKeyUITVJEGEZQYNMT-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.32
Rot. Bonds

About 6-bromo-4-fluoronaphthalen-2-amine

6-bromo-4-fluoronaphthalen-2-amine (PubChem CID 115043475) has the molecular formula C10H7BrFN and a molecular weight of 240.08 g/mol. Its IUPAC name is 6-bromo-4-fluoronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-4-fluoronaphthalen-2-amine
PubChem CID115043475
Molecular FormulaC10H7BrFN
Molecular Weight240.08 g/mol
Exact Mass238.97
IUPAC Name6-bromo-4-fluoronaphthalen-2-amine
SMILESNc1cc(F)c2cc(Br)ccc2c1
InChIInChI=1S/C10H7BrFN/c11-7-2-1-6-3-8(13)5-10(12)9(6)4-7/h1-5H,13H2
InChIKeyUITVJEGEZQYNMT-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6-bromonaphthalen-2-yl)oxy-3,5-difluoroaniline
CID 63456932
6-bromophenanthren-3-amine
CID 163359562
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
4-(4-bromophenyl)sulfanyl-3,5-difluoroaniline
CID 54902494
7-bromo-3-fluoroquinolin-2-amine
CID 126637279
1,2,7-tribromonaphthalene
CID 150191333
2-bromonaphthalene;naphthalen-2-amine
CID 173256216
1-N-(5-bromo-2-methylphenyl)-2,6-difluorobenzene-1,4-diamine
CID 54902992
2,6-dibromonaphthalene
CID 640591
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
5-(6-amino-2-bromonaphthalen-1-yl)oxy-6-bromonaphthalen-2-amine
CID 171416456
4-[6-(4-amino-2,6-difluorophenyl)naphthalen-2-yl]-3,5-difluoroaniline
CID 146374162

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoronaphthalen-2-amine?
The IUPAC name of 6-bromo-4-fluoronaphthalen-2-amine (CID 115043475) is 6-bromo-4-fluoronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-4-fluoronaphthalen-2-amine?
The canonical SMILES for 6-bromo-4-fluoronaphthalen-2-amine is Nc1cc(F)c2cc(Br)ccc2c1.
What is the InChIKey of 6-bromo-4-fluoronaphthalen-2-amine?
The InChIKey is UITVJEGEZQYNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c11-7-2-1-6-3-8(13)5-10(12)9(6)4-7/h1-5H,13H2.
What are the key properties of 6-bromo-4-fluoronaphthalen-2-amine?
6-bromo-4-fluoronaphthalen-2-amine has a molecular weight of 240.08 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoronaphthalen-2-amine is sourced from PubChem (CID 115043475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).