7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide

C12H10BrFN2 — CID 20595189

IUPAC7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(Br)c(F)cc2cc1C
InChIInChI=1S/C12H10BrFN2/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyRGCWRASDYXGMNL-UHFFFAOYSA-N
MW281.13 g/mol
LogP3.33
Rot. Bonds1

About 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide

7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide (PubChem CID 20595189) has the molecular formula C12H10BrFN2 and a molecular weight of 281.13 g/mol. Its IUPAC name is 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide
PubChem CID20595189
Molecular FormulaC12H10BrFN2
Molecular Weight281.13 g/mol
Exact Mass280.00
IUPAC Name7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(Br)c(F)cc2cc1C
InChIInChI=1S/C12H10BrFN2/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyRGCWRASDYXGMNL-UHFFFAOYSA-N
XLogP3.33
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 53.33
H-Bond Donors ≤ 52
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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Related Compounds

8-Bromo-6-styryl-naphthalene-2-carboxamidine
CID 44392405
8-Bromo-6-(2-phenylcyclopropyl)naphthalene-2-carboximidamide
CID 44392416
8-Bromo-6-(2-phenylethyl)naphthalene-2-carboximidamide
CID 44392417
6-Bromo-1,3-diiminobenz[f]isoindoline
CID 14766225
6,7-Dibromo-3-iminobenzo[f]isoindol-1-amine
CID 22016392
6,7-Difluoro-3-methylnaphthalene-2-carboximidamide
CID 20595124
(6-Bromo-7-fluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595142
6-Bromo-7-fluoro-3-methylnaphthalene-2-carboximidamide
CID 20595144
(7-Bromo-6-fluoro-3-methylnaphthalen-2-yl)methanamine
CID 20595187
4-Bromo-3-[(3-fluorophenyl)methyl]benzenecarboximidamide
CID 134464817
7-bromo-6-fluoro-N',3-dimethylnaphthalene-2-carboximidamide
CID 142050777
6-bromo-7-fluoro-N',3-dimethylnaphthalene-2-carboximidamide
CID 142050931

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide?
The IUPAC name of 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide (CID 20595189) is 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide.
What is the SMILES notation for 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide?
The canonical SMILES for 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide is [H]/N=C(\N)c1cc2cc(Br)c(F)cc2cc1C.
What is the InChIKey of 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide?
The InChIKey is RGCWRASDYXGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2/c1-6-2-7-5-11(14)10(13)4-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16).
What are the key properties of 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide?
7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide has a molecular weight of 281.13 g/mol, XLogP of 3.33, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-3-methylnaphthalene-2-carboximidamide is sourced from PubChem (CID 20595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).