4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol

C13H8ClIN2O3 — CID 137080518

IUPAC4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
SMILESO=[N+]([O-])c1cc(/N=C/c2ccc(O)c(I)c2)ccc1Cl
InChIInChI=1S/C13H8ClIN2O3/c14-10-3-2-9(6-12(10)17(19)20)16-7-8-1-4-13(18)11(15)5-8/h1-7,18H/b16-7+
InChIKeyHWBKWRVENIQIKP-FRKPEAEDSA-N
MW402.58 g/mol
LogP4.31
Rot. Bonds3

About 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol

4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol (PubChem CID 137080518) has the molecular formula C13H8ClIN2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol.

Molecular Properties

Compound Name4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
PubChem CID137080518
Molecular FormulaC13H8ClIN2O3
Molecular Weight402.58 g/mol
Exact Mass401.93
IUPAC Name4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
SMILESO=[N+]([O-])c1cc(/N=C/c2ccc(O)c(I)c2)ccc1Cl
InChIInChI=1S/C13H8ClIN2O3/c14-10-3-2-9(6-12(10)17(19)20)16-7-8-1-4-13(18)11(15)5-8/h1-7,18H/b16-7+
InChIKeyHWBKWRVENIQIKP-FRKPEAEDSA-N
XLogP4.31
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
4-chloro-2-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 135595561
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
2,4-dichloro-6-[(4-chloro-3-nitrophenyl)iminomethyl]phenol
CID 631330
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 126077274
2-[(4-chloro-3-nitrophenyl)methylideneamino]-4-[[3-[(4-chloro-3-nitrophenyl)methylideneamino]-4-hydroxyphenyl]methyl]phenol
CID 171980289
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231
4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol?
The IUPAC name of 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol (CID 137080518) is 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol.
What is the SMILES notation for 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol?
The canonical SMILES for 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol is O=[N+]([O-])c1cc(/N=C/c2ccc(O)c(I)c2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol?
The InChIKey is HWBKWRVENIQIKP-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8ClIN2O3/c14-10-3-2-9(6-12(10)17(19)20)16-7-8-1-4-13(18)11(15)5-8/h1-7,18H/b16-7+.
What are the key properties of 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol?
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol has a molecular weight of 402.58 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol is sourced from PubChem (CID 137080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).