N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine

C13H8BrClN2O2 — CID 126077274

IUPACN-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C13H8BrClN2O2/c14-10-2-1-3-11(7-10)16-8-9-4-5-12(15)13(6-9)17(18)19/h1-8H/b16-8+
InChIKeyZQQCVAYAGVVCAX-LZYBPNLTSA-N
MW339.58 g/mol
LogP4.76
Rot. Bonds3

About N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine

N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine (PubChem CID 126077274) has the molecular formula C13H8BrClN2O2 and a molecular weight of 339.58 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
PubChem CID126077274
Molecular FormulaC13H8BrClN2O2
Molecular Weight339.58 g/mol
Exact Mass337.95
IUPAC NameN-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Cl
InChIInChI=1S/C13H8BrClN2O2/c14-10-2-1-3-11(7-10)16-8-9-4-5-12(15)13(6-9)17(18)19/h1-8H/b16-8+
InChIKeyZQQCVAYAGVVCAX-LZYBPNLTSA-N
XLogP4.76
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.58
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863
1-(4-chloro-3-nitrophenyl)-N-(4-phenylphenyl)methanimine
CID 21240098
N-(3-bromophenyl)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]methanimine
CID 126117687
N-(3-chloro-2-methylphenyl)-1-(4-chloro-3-nitrophenyl)methanimine
CID 693294
1-(4-chloro-3-nitrophenyl)-N-(3,4-dimethoxyphenyl)methanimine
CID 758987
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
4-[(4-chloro-3-nitrophenyl)iminomethyl]-2-iodophenol
CID 137080518
N-(3-bromophenyl)-1-(4-bromophenyl)methanimine
CID 525653
1-(4-chloro-3-nitrophenyl)-N-(2,4,6-trimethylphenyl)methanimine
CID 913562
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]aniline
CID 84924393
1-(4-chloro-3-nitrophenyl)-N-[4-(2-methoxyphenoxy)phenyl]methanimine
CID 126120470
N-(4-chloro-3-nitrophenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854768

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The IUPAC name of N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine (CID 126077274) is N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The canonical SMILES for N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine is O=[N+]([O-])c1cc(/C=N/c2cccc(Br)c2)ccc1Cl.
What is the InChIKey of N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
The InChIKey is ZQQCVAYAGVVCAX-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8BrClN2O2/c14-10-2-1-3-11(7-10)16-8-9-4-5-12(15)13(6-9)17(18)19/h1-8H/b16-8+.
What are the key properties of N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine?
N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine has a molecular weight of 339.58 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-(4-chloro-3-nitrophenyl)methanimine is sourced from PubChem (CID 126077274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).