4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol

C17H11ClN2O3 — CID 135595089

IUPAC4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1O
InChIInChI=1S/C17H11ClN2O3/c18-14-7-13(17(21)16(9-14)20(22)23)10-19-15-6-5-11-3-1-2-4-12(11)8-15/h1-10,21H/b19-10+
InChIKeyPIJICGVHJGKQTB-VXLYETTFSA-N
MW326.74 g/mol
LogP4.86
Rot. Bonds3

About 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol

4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol (PubChem CID 135595089) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
PubChem CID135595089
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1O
InChIInChI=1S/C17H11ClN2O3/c18-14-7-13(17(21)16(9-14)20(22)23)10-19-15-6-5-11-3-1-2-4-12(11)8-15/h1-10,21H/b19-10+
InChIKeyPIJICGVHJGKQTB-VXLYETTFSA-N
XLogP4.86
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
4-chloro-2-[(3-chloro-4-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595288
3-[5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-1,3-benzoxazol-2-yl]naphthalen-2-ol
CID 4569021
4-chloro-2-[(3-ethylphenyl)iminomethyl]-6-nitrophenol
CID 135595533
4-chloro-2-[(2-fluorophenyl)iminomethyl]-6-nitrophenol
CID 135595163
4-chloro-2-nitro-6-(pyridin-3-yliminomethyl)phenol
CID 813505
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
3-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-N,N-diethylbenzamide
CID 135758045
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
2-[(benzhydrylidenehydrazinylidene)methyl]-4-chloro-6-nitrophenol
CID 2391679
2-[(Z)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]isoindole-1,3-dione
CID 135757360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol?
The IUPAC name of 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol (CID 135595089) is 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol?
The canonical SMILES for 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/c2ccc3ccccc3c2)c1O.
What is the InChIKey of 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol?
The InChIKey is PIJICGVHJGKQTB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c18-14-7-13(17(21)16(9-14)20(22)23)10-19-15-6-5-11-3-1-2-4-12(11)8-15/h1-10,21H/b19-10+.
What are the key properties of 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol?
4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol has a molecular weight of 326.74 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(naphthalen-2-yliminomethyl)-6-nitrophenol is sourced from PubChem (CID 135595089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).