6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide

C13H12BrFN2 — CID 142050931

IUPAC6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide
SMILESC/N=C(\N)c1cc2cc(F)c(Br)cc2cc1C
InChIInChI=1S/C13H12BrFN2/c1-7-3-8-5-11(14)12(15)6-9(8)4-10(7)13(16)17-2/h3-6H,1-2H3,(H2,16,17)
InChIKeyLMPIXFHWPKZQMJ-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.38
Rot. Bonds1

About 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide

6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide (PubChem CID 142050931) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide
PubChem CID142050931
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide
SMILESC/N=C(\N)c1cc2cc(F)c(Br)cc2cc1C
InChIInChI=1S/C13H12BrFN2/c1-7-3-8-5-11(14)12(15)6-9(8)4-10(7)13(16)17-2/h3-6H,1-2H3,(H2,16,17)
InChIKeyLMPIXFHWPKZQMJ-UHFFFAOYSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide?
The IUPAC name of 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide (CID 142050931) is 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide.
What is the SMILES notation for 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide?
The canonical SMILES for 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide is C/N=C(\N)c1cc2cc(F)c(Br)cc2cc1C.
What is the InChIKey of 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide?
The InChIKey is LMPIXFHWPKZQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c1-7-3-8-5-11(14)12(15)6-9(8)4-10(7)13(16)17-2/h3-6H,1-2H3,(H2,16,17).
What are the key properties of 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide?
6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide has a molecular weight of 295.16 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide is sourced from PubChem (CID 142050931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).