4-bromo-2-nitronaphthalen-1-ol

C10H6BrNO3 — CID 11572534

IUPAC4-bromo-2-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C10H6BrNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyRYGNNSNXVBBMSK-UHFFFAOYSA-N
MW268.07 g/mol
LogP3.22
Rot. Bonds1

About 4-bromo-2-nitronaphthalen-1-ol

4-bromo-2-nitronaphthalen-1-ol (PubChem CID 11572534) has the molecular formula C10H6BrNO3 and a molecular weight of 268.07 g/mol. Its IUPAC name is 4-bromo-2-nitronaphthalen-1-ol.

Molecular Properties

Compound Name4-bromo-2-nitronaphthalen-1-ol
PubChem CID11572534
Molecular FormulaC10H6BrNO3
Molecular Weight268.07 g/mol
Exact Mass266.95
IUPAC Name4-bromo-2-nitronaphthalen-1-ol
SMILESO=[N+]([O-])c1cc(Br)c2ccccc2c1O
InChIInChI=1S/C10H6BrNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyRYGNNSNXVBBMSK-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

4-hydroxy-3-nitronaphthalene-1-sulfonic acid
CID 3018258
4-nitronaphthalene-1,2-diol
CID 54339442
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CID 14125599
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
1-(1-hydroxy-4-nitronaphthalen-2-yl)ethanone
CID 121011643
1-bromo-5-(2-nitrophenyl)naphthalene
CID 118332360
1-bromo-2-nitrobenzene
CID 158366116
8-hydroxy-7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
CID 14746005
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
2,4-dibromo-3-methoxy-6-nitrophenol;5-methoxy-2-nitrophenol
CID 159971508
8-bromo-4-nitronaphthalen-1-ol
CID 10516017
5-nitronaphthalene-1,2-diol
CID 139880098

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-nitronaphthalen-1-ol?
The IUPAC name of 4-bromo-2-nitronaphthalen-1-ol (CID 11572534) is 4-bromo-2-nitronaphthalen-1-ol.
What is the SMILES notation for 4-bromo-2-nitronaphthalen-1-ol?
The canonical SMILES for 4-bromo-2-nitronaphthalen-1-ol is O=[N+]([O-])c1cc(Br)c2ccccc2c1O.
What is the InChIKey of 4-bromo-2-nitronaphthalen-1-ol?
The InChIKey is RYGNNSNXVBBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO3/c11-8-5-9(12(14)15)10(13)7-4-2-1-3-6(7)8/h1-5,13H.
What are the key properties of 4-bromo-2-nitronaphthalen-1-ol?
4-bromo-2-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 4-bromo-2-nitronaphthalen-1-ol is sourced from PubChem (CID 11572534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).