2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol

C13H9ClN2O3 — CID 3614500

IUPAC2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccccc2O)c1
InChIInChI=1S/C13H9ClN2O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H/b15-8+
InChIKeyZVVHJQVZXHJTGI-OVCLIPMQSA-N
MW276.68 g/mol
LogP3.70
Rot. Bonds3

About 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol

2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol (PubChem CID 3614500) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
PubChem CID3614500
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccccc2O)c1
InChIInChI=1S/C13H9ClN2O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H/b15-8+
InChIKeyZVVHJQVZXHJTGI-OVCLIPMQSA-N
XLogP3.70
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.70
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

2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
CID 136877308
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
4-chloro-3-[(2-chloro-5-nitrophenyl)methylideneamino]benzoic acid
CID 126101233
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
CID 136620756
CID 136620756
2,4-ditert-butyl-6-[[2-[(2-hydroxyphenyl)methylideneamino]-4-nitrophenyl]iminomethyl]phenol
CID 139203413
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
4-tert-butyl-2-chloro-6-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenolate
CID 135682525

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol (CID 3614500) is 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccccc2O)c1.
What is the InChIKey of 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is ZVVHJQVZXHJTGI-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H/b15-8+.
What are the key properties of 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol?
2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 276.68 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 3614500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).