1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine

C17H11BrCl2N2 — CID 126015515

IUPAC1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1Cl
InChIInChI=1S/C17H11BrCl2N2/c18-12-4-1-5-13(10-12)22-9-3-6-14(22)11-21-16-8-2-7-15(19)17(16)20/h1-11H/b21-11+
InChIKeyAIFGKLTWKLALGK-SRZZPIQSSA-N
MW394.10 g/mol
LogP6.30
Rot. Bonds3

About 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine

1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine (PubChem CID 126015515) has the molecular formula C17H11BrCl2N2 and a molecular weight of 394.10 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine
PubChem CID126015515
Molecular FormulaC17H11BrCl2N2
Molecular Weight394.10 g/mol
Exact Mass391.95
IUPAC Name1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine
SMILESClc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1Cl
InChIInChI=1S/C17H11BrCl2N2/c18-12-4-1-5-13(10-12)22-9-3-6-14(22)11-21-16-8-2-7-15(19)17(16)20/h1-11H/b21-11+
InChIKeyAIFGKLTWKLALGK-SRZZPIQSSA-N
XLogP6.30
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.10
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]phenol
CID 126017200
1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(4-phenylphenyl)methanimine
CID 126022684
methyl 3-[[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-2-methylbenzoate
CID 126015661
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(2-chlorophenyl)urea
CID 126015964
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3,4-dichlorobenzamide
CID 126025346
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
3-[1-(3-bromophenyl)pyrrol-2-yl]-2-(2-chlorophenyl)prop-2-enenitrile
CID 3337438
(5E)-5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137129194
3-[2-(naphthalen-1-yliminomethyl)pyrrol-1-yl]benzoic acid
CID 126115370
N-[(Z)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-fluorobenzamide
CID 126016581
5-[[1-(3-bromophenyl)pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126019330
1-[(E)-[1-(3-bromophenyl)pyrrol-2-yl]methylideneamino]-3-(4-methoxyphenyl)urea
CID 126019313

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine?
The IUPAC name of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine (CID 126015515) is 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine.
What is the SMILES notation for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine?
The canonical SMILES for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine is Clc1cccc(/N=C/c2cccn2-c2cccc(Br)c2)c1Cl.
What is the InChIKey of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine?
The InChIKey is AIFGKLTWKLALGK-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H11BrCl2N2/c18-12-4-1-5-13(10-12)22-9-3-6-14(22)11-21-16-8-2-7-15(19)17(16)20/h1-11H/b21-11+.
What are the key properties of 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine?
1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine has a molecular weight of 394.10 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)pyrrol-2-yl]-N-(2,3-dichlorophenyl)methanimine is sourced from PubChem (CID 126015515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).