2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide

C12H11BrN2O — CID 22159519

IUPAC2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2cccc(Br)c12)=N\O
InChIInChI=1S/C12H11BrN2O/c13-10-6-2-4-8-3-1-5-9(12(8)10)7-11(14)15-16/h1-6,16H,7H2,(H2,14,15)
InChIKeyZMKWBNQEEMUPIF-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.89
Rot. Bonds2

About 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide

2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide (PubChem CID 22159519) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide
PubChem CID22159519
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide
SMILESN/C(Cc1cccc2cccc(Br)c12)=N\O
InChIInChI=1S/C12H11BrN2O/c13-10-6-2-4-8-3-1-5-9(12(8)10)7-11(14)15-16/h1-6,16H,7H2,(H2,14,15)
InChIKeyZMKWBNQEEMUPIF-UHFFFAOYSA-N
XLogP2.89
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide (CID 22159519) is 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide is N/C(Cc1cccc2cccc(Br)c12)=N\O.
What is the InChIKey of 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide?
The InChIKey is ZMKWBNQEEMUPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-6-2-4-8-3-1-5-9(12(8)10)7-11(14)15-16/h1-6,16H,7H2,(H2,14,15).
What are the key properties of 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide?
2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide has a molecular weight of 279.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bromonaphthalen-1-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 22159519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).