naphthalen-2-ol;4-nitroaniline

C16H14N2O3 — CID 160761253

IUPACnaphthalen-2-ol;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H6N2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(4-2-5)8(9)10/h1-7,11H;1-4H,7H2
InChIKeyRYCFIQUZTPJGBX-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.72
Rot. Bonds1

About naphthalen-2-ol;4-nitroaniline

naphthalen-2-ol;4-nitroaniline (PubChem CID 160761253) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is naphthalen-2-ol;4-nitroaniline.

Molecular Properties

Compound Namenaphthalen-2-ol;4-nitroaniline
PubChem CID160761253
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namenaphthalen-2-ol;4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H6N2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(4-2-5)8(9)10/h1-7,11H;1-4H,7H2
InChIKeyRYCFIQUZTPJGBX-UHFFFAOYSA-N
XLogP3.72
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

naphthalen-2-ol;nitrobenzene
CID 163774452
2-amino-5-nitrophenol;naphthalen-2-ol
CID 23314581
2-chloro-4-nitroaniline;naphthalen-2-ol
CID 70601980
naphthalen-2-ol
CID 71750931
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
4-nitrophenol
CID 88714583
CID 69280188
CID 69280188
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
arsoric acid;tris(4-nitroaniline)
CID 175201940
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
4-nitroaniline;perchloric acid
CID 86177986

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ol;4-nitroaniline?
The IUPAC name of naphthalen-2-ol;4-nitroaniline (CID 160761253) is naphthalen-2-ol;4-nitroaniline.
What is the SMILES notation for naphthalen-2-ol;4-nitroaniline?
The canonical SMILES for naphthalen-2-ol;4-nitroaniline is Nc1ccc([N+](=O)[O-])cc1.Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ol;4-nitroaniline?
The InChIKey is RYCFIQUZTPJGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H6N2O2/c11-10-6-5-8-3-1-2-4-9(8)7-10;7-5-1-3-6(4-2-5)8(9)10/h1-7,11H;1-4H,7H2.
What are the key properties of naphthalen-2-ol;4-nitroaniline?
naphthalen-2-ol;4-nitroaniline has a molecular weight of 282.30 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ol;4-nitroaniline is sourced from PubChem (CID 160761253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).