6,7-dibromonaphthalene-2-carboximidamide;hydrochloride

C11H9Br2ClN2 — CID 121232084

IUPAC6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2cc(Br)c(Br)cc2c1
InChIInChI=1S/C11H8Br2N2.ClH/c12-9-4-6-1-2-7(11(14)15)3-8(6)5-10(9)13;/h1-5H,(H3,14,15);1H
InChIKeyRGRMCNXIQRQARS-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.07
Rot. Bonds1

About 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride

6,7-dibromonaphthalene-2-carboximidamide;hydrochloride (PubChem CID 121232084) has the molecular formula C11H9Br2ClN2 and a molecular weight of 364.47 g/mol. Its IUPAC name is 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
PubChem CID121232084
Molecular FormulaC11H9Br2ClN2
Molecular Weight364.47 g/mol
Exact Mass361.88
IUPAC Name6,7-dibromonaphthalene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2cc(Br)c(Br)cc2c1
InChIInChI=1S/C11H8Br2N2.ClH/c12-9-4-6-1-2-7(11(14)15)3-8(6)5-10(9)13;/h1-5H,(H3,14,15);1H
InChIKeyRGRMCNXIQRQARS-UHFFFAOYSA-N
XLogP4.07
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.07
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

6,7-dibromonaphthalene-2-carboximidamide
CID 121232083
6-methoxynaphthalene-2-carboximidamide
CID 3274917
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
(6-carbamimidoylnaphthalen-2-yl) methanesulfonate
CID 13050560
3-[7-(3-carbamimidoylphenyl)naphthalen-2-yl]benzenecarboximidamide
CID 10338813
6-carbamimidoyl-N-(4-carbamoylphenyl)naphthalene-2-carboxamide
CID 11244460
pyrene-2-carboximidamide
CID 151524830
3-bromo-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 82799311
3-bromo-4-[(5-bromo-3-pyridinyl)oxy]benzenecarboximidamide
CID 82799770
(6-carbamimidoylnaphthalen-2-yl) 4-aminobenzoate
CID 13176884

Frequently Asked Questions

What is the IUPAC name of 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride?
The IUPAC name of 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride (CID 121232084) is 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride?
The canonical SMILES for 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2cc(Br)c(Br)cc2c1.
What is the InChIKey of 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride?
The InChIKey is RGRMCNXIQRQARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2N2.ClH/c12-9-4-6-1-2-7(11(14)15)3-8(6)5-10(9)13;/h1-5H,(H3,14,15);1H.
What are the key properties of 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride?
6,7-dibromonaphthalene-2-carboximidamide;hydrochloride has a molecular weight of 364.47 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dibromonaphthalene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 121232084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).