O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine

C10H5Br4NO — CID 157143740

IUPACO-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine
SMILESNOc1c(Br)c(Br)c(Br)c2c(Br)cccc12
InChIInChI=1S/C10H5Br4NO/c11-5-3-1-2-4-6(5)7(12)8(13)9(14)10(4)16-15/h1-3H,15H2
InChIKeyCHDFPCUMJRCFCV-UHFFFAOYSA-N
MW474.77 g/mol
LogP5.14
Rot. Bonds1

About O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine

O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine (PubChem CID 157143740) has the molecular formula C10H5Br4NO and a molecular weight of 474.77 g/mol. Its IUPAC name is O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine
PubChem CID157143740
Molecular FormulaC10H5Br4NO
Molecular Weight474.77 g/mol
Exact Mass470.71
IUPAC NameO-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine
SMILESNOc1c(Br)c(Br)c(Br)c2c(Br)cccc12
InChIInChI=1S/C10H5Br4NO/c11-5-3-1-2-4-6(5)7(12)8(13)9(14)10(4)16-15/h1-3H,15H2
InChIKeyCHDFPCUMJRCFCV-UHFFFAOYSA-N
XLogP5.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,9,10-tribromoanthracene
CID 151469472
O-(1-amino-4-bromo-5-chloronaphthalen-2-yl)hydroxylamine
CID 166102611
1,2,3,4,9-pentabromodibenzofuran
CID 71392419
1,2,3,4,5,6,7,8-octabromopyrene
CID 167515586
1-bromo-6-methyltriphenylene
CID 151908557
1-bromonaphthalene;methanamine
CID 143041720
3,10-dibromoperylene
CID 11090875
4,5-dibromo-1-phenylnaphthalene
CID 155350544
1,2,3,6-tetrabromodibenzofuran
CID 526230
9-anthracen-9-yl-1,10-dibromoanthracene
CID 141260299
1-(2-bromophenyl)triphenylene
CID 134258474
O-[(3-bromo-2-fluorophenyl)methyl]hydroxylamine
CID 58419548

Frequently Asked Questions

What is the IUPAC name of O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine?
The IUPAC name of O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine (CID 157143740) is O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine.
What is the SMILES notation for O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine?
The canonical SMILES for O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine is NOc1c(Br)c(Br)c(Br)c2c(Br)cccc12.
What is the InChIKey of O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine?
The InChIKey is CHDFPCUMJRCFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br4NO/c11-5-3-1-2-4-6(5)7(12)8(13)9(14)10(4)16-15/h1-3H,15H2.
What are the key properties of O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine?
O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine has a molecular weight of 474.77 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,3,4,5-tetrabromonaphthalen-1-yl)hydroxylamine is sourced from PubChem (CID 157143740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).