2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol

C13H9ClN2O3 — CID 623877

IUPAC2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClN2O3/c14-10-1-3-11(4-2-10)15-8-9-7-12(16(18)19)5-6-13(9)17/h1-8,17H/b15-8+
InChIKeySJWJEXXYMFEKIG-OVCLIPMQSA-N
MW276.68 g/mol
LogP3.70
Rot. Bonds3

About 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol

2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol (PubChem CID 623877) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol
PubChem CID623877
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C13H9ClN2O3/c14-10-1-3-11(4-2-10)15-8-9-7-12(16(18)19)5-6-13(9)17/h1-8,17H/b15-8+
InChIKeySJWJEXXYMFEKIG-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

Alpha-(2-chlorophenylimino)-ortho-cresol
CID 137851
Salicylidene-4-chloroaniline
CID 305093
Benzaldehyde, 2-hydroxy-5-nitro-, 2-chlorophenylhydrazone
CID 135439761
2-[(E)-(dimethylhydrazinylidene)methyl]-4-nitrophenol
CID 135520025
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413
Phenol, 2-[[(2-methylphenyl)imino]methyl]-4-nitro-
CID 765699
Alpha-(4-chlorophenylimino)-P-cresol
CID 868344
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
(6E)-6-(anilinomethylidene)-4-nitrocyclohexa-2,4-dien-1-one
CID 271526
2-[(3-Ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335186

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol (CID 623877) is 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is SJWJEXXYMFEKIG-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-10-1-3-11(4-2-10)15-8-9-7-12(16(18)19)5-6-13(9)17/h1-8,17H/b15-8+.
What are the key properties of 2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol?
2-[(4-chlorophenyl)iminomethyl]-4-nitrophenol 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-[(4-chlorophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 623877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).