8-bromo-4-nitronaphthalen-1-ol

C10H6BrNO3 — CID 10516017

IUPAC8-bromo-4-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(O)c2c(Br)cccc12
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-6-8(12(14)15)4-5-9(13)10(6)7/h1-5,13H
InChIKeyOUXCATAIQCAZQO-UHFFFAOYSA-N
MW268.07 g/mol
LogP3.22
Rot. Bonds1

About 8-bromo-4-nitronaphthalen-1-ol

8-bromo-4-nitronaphthalen-1-ol (PubChem CID 10516017) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 8-bromo-4-nitronaphthalen-1-ol.

Molecular Properties

Compound Name8-bromo-4-nitronaphthalen-1-ol
PubChem CID10516017
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name8-bromo-4-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1ccc(O)c2c(Br)cccc12
InChIInChI=1S/C10H6BrNO3/c11-7-3-1-2-6-8(12(14)15)4-5-9(13)10(6)7/h1-5,13H
InChIKeyOUXCATAIQCAZQO-UHFFFAOYSA-N
XLogP3.22
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-methyl-4-nitronaphthalene
CID 23395189
7-bromo-4-nitro-2H-isoindol-1-ol
CID 91229575
5-nitronaphthalene-1,2-diol
CID 139880098
1-bromo-6-nitrodibenzofuran
CID 142427337
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol
CID 159929831
2-hydroxy-6-nitrobenzo[de]isoquinoline-1,3-dione
CID 819865
1,8-dihydroxy-4-nitroxanthen-9-one
CID 5326637
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
4-bromo-2-nitronaphthalen-1-ol
CID 11572534
1,5,9-trinitrotriphenylene
CID 86227277
1-bromo-2-nitrobenzene
CID 158366116

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-nitronaphthalen-1-ol?
The IUPAC name of 8-bromo-4-nitronaphthalen-1-ol (CID 10516017) is 8-bromo-4-nitronaphthalen-1-ol.
What is the SMILES notation for 8-bromo-4-nitronaphthalen-1-ol?
The canonical SMILES for 8-bromo-4-nitronaphthalen-1-ol is O=[N+]([O-])c1ccc(O)c2c(Br)cccc12.
What is the InChIKey of 8-bromo-4-nitronaphthalen-1-ol?
The InChIKey is OUXCATAIQCAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-7-3-1-2-6-8(12(14)15)4-5-9(13)10(6)7/h1-5,13H.
What are the key properties of 8-bromo-4-nitronaphthalen-1-ol?
8-bromo-4-nitronaphthalen-1-ol has a molecular weight of 268.07 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-nitronaphthalen-1-ol is sourced from PubChem (CID 10516017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).