4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine

C26H30Br2N2O3 — CID 172931480

IUPAC4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine
SMILESCC.CC.NO.O/N=C\c1ccc(Br)c2ccccc12.O=Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H8BrNO.C11H7BrO.2C2H6.H3NO/c12-11-6-5-8(7-13-14)9-3-1-2-4-10(9)11;12-11-6-5-8(7-13)9-3-1-2-4-10(9)11;3*1-2/h1-7,14H;1-7H;2*1-2H3;2H,1H2/b13-7-;;;;
InChIKeyRMBXRJGDMPJHTI-GGDUPRFKSA-N
MW578.35 g/mol
LogP8.21
Rot. Bonds2

About 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine

4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine (PubChem CID 172931480) has the molecular formula C26H30Br2N2O3 and a molecular weight of 578.35 g/mol. Its IUPAC name is 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine.

Molecular Properties

Compound Name4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine
PubChem CID172931480
Molecular FormulaC26H30Br2N2O3
Molecular Weight578.35 g/mol
Exact Mass576.06
IUPAC Name4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine
SMILESCC.CC.NO.O/N=C\c1ccc(Br)c2ccccc12.O=Cc1ccc(Br)c2ccccc12
InChIInChI=1S/C11H8BrNO.C11H7BrO.2C2H6.H3NO/c12-11-6-5-8(7-13-14)9-3-1-2-4-10(9)11;12-11-6-5-8(7-13)9-3-1-2-4-10(9)11;3*1-2/h1-7,14H;1-7H;2*1-2H3;2H,1H2/b13-7-;;;;
InChIKeyRMBXRJGDMPJHTI-GGDUPRFKSA-N
XLogP8.21
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.35
LogP ≤ 58.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine?
The IUPAC name of 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine (CID 172931480) is 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine.
What is the SMILES notation for 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine?
The canonical SMILES for 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine is CC.CC.NO.O/N=C\c1ccc(Br)c2ccccc12.O=Cc1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine?
The InChIKey is RMBXRJGDMPJHTI-GGDUPRFKSA-N. The full InChI is InChI=1S/C11H8BrNO.C11H7BrO.2C2H6.H3NO/c12-11-6-5-8(7-13-14)9-3-1-2-4-10(9)11;12-11-6-5-8(7-13)9-3-1-2-4-10(9)11;3*1-2/h1-7,14H;1-7H;2*1-2H3;2H,1H2/b13-7-;;;;.
What are the key properties of 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine?
4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine has a molecular weight of 578.35 g/mol, XLogP of 8.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromonaphthalene-1-carbaldehyde;(NZ)-N-[(4-bromonaphthalen-1-yl)methylidene]hydroxylamine;ethane;hydroxylamine is sourced from PubChem (CID 172931480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).