2-amino-5-nitrophenol;naphthalen-2-ol

C16H14N2O4 — CID 23314581

IUPAC2-amino-5-nitrophenol;naphthalen-2-ol
SMILESNc1ccc([N+](=O)[O-])cc1O.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H6N2O3/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-2-1-4(8(10)11)3-6(5)9/h1-7,11H;1-3,9H,7H2
InChIKeyCQJKNZBUBWIGHQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.43
Rot. Bonds1

About 2-amino-5-nitrophenol;naphthalen-2-ol

2-amino-5-nitrophenol;naphthalen-2-ol (PubChem CID 23314581) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-amino-5-nitrophenol;naphthalen-2-ol.

Molecular Properties

Compound Name2-amino-5-nitrophenol;naphthalen-2-ol
PubChem CID23314581
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-amino-5-nitrophenol;naphthalen-2-ol
SMILESNc1ccc([N+](=O)[O-])cc1O.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H6N2O3/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-2-1-4(8(10)11)3-6(5)9/h1-7,11H;1-3,9H,7H2
InChIKeyCQJKNZBUBWIGHQ-UHFFFAOYSA-N
XLogP3.43
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-nitroaniline;naphthalen-2-ol
CID 70601980
naphthalen-2-ol;4-nitroaniline
CID 160761253
naphthalen-2-ol;nitrobenzene
CID 163774452
2-amino-5-nitrophenol;4-aminophenol;benzene-1,3-diol;2-nitrobenzene-1,4-diamine
CID 173361961
naphthalen-2-ol
CID 71750931
CID 69280188
CID 69280188
ethane;naphthalen-2-ol
CID 91107047
3-nitroacridin-9-amine
CID 26592
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
4-nitrophenol
CID 88714583
sodium;bis(8-amino-1-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalen-2-ol);chromium
CID 170844440

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitrophenol;naphthalen-2-ol?
The IUPAC name of 2-amino-5-nitrophenol;naphthalen-2-ol (CID 23314581) is 2-amino-5-nitrophenol;naphthalen-2-ol.
What is the SMILES notation for 2-amino-5-nitrophenol;naphthalen-2-ol?
The canonical SMILES for 2-amino-5-nitrophenol;naphthalen-2-ol is Nc1ccc([N+](=O)[O-])cc1O.Oc1ccc2ccccc2c1.
What is the InChIKey of 2-amino-5-nitrophenol;naphthalen-2-ol?
The InChIKey is CQJKNZBUBWIGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H6N2O3/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-2-1-4(8(10)11)3-6(5)9/h1-7,11H;1-3,9H,7H2.
What are the key properties of 2-amino-5-nitrophenol;naphthalen-2-ol?
2-amino-5-nitrophenol;naphthalen-2-ol has a molecular weight of 298.30 g/mol, XLogP of 3.43, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitrophenol;naphthalen-2-ol is sourced from PubChem (CID 23314581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).