(3-bromo-5-chlorophenyl)methanimine

C7H5BrClN — CID 176677036

IUPAC(3-bromo-5-chlorophenyl)methanimine
SMILES[H]/N=C/c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-4,10H/b10-4+
InChIKeyQBVQHFOXNIXYTR-ONNFQVAWSA-N
MW218.48 g/mol
LogP3.10
Rot. Bonds1

About (3-bromo-5-chlorophenyl)methanimine

(3-bromo-5-chlorophenyl)methanimine (PubChem CID 176677036) has the molecular formula C7H5BrClN and a molecular weight of 218.48 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)methanimine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)methanimine
PubChem CID176677036
Molecular FormulaC7H5BrClN
Molecular Weight218.48 g/mol
Exact Mass216.93
IUPAC Name(3-bromo-5-chlorophenyl)methanimine
SMILES[H]/N=C/c1cc(Cl)cc(Br)c1
InChIInChI=1S/C7H5BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-4,10H/b10-4+
InChIKeyQBVQHFOXNIXYTR-ONNFQVAWSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-5-fluorophenyl)methanimine
CID 146652124
3-bromo-5-methanimidoylbenzaldehyde
CID 139323082
3-(3-bromo-5-chlorophenyl)prop-2-enoic acid
CID 53401688
1-bromo-3-chloro-5-(4-chlorobut-1-enyl)benzene
CID 170500180
(NZ,R)-N-[(3-bromo-5-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 153291734
methyl 3-bromo-5-chlorobenzenecarboximidate
CID 86222871
4-bromo-6-[2-(3-bromo-5-chlorophenyl)ethenyl]-1-chloronaphthalene
CID 141434442
(4-bromothiophen-2-yl)methanimine
CID 170151814
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-dione
CID 139745262
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
5-bromo-2-methanimidoyl-3-methoxyaniline
CID 130265419

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)methanimine?
The IUPAC name of (3-bromo-5-chlorophenyl)methanimine (CID 176677036) is (3-bromo-5-chlorophenyl)methanimine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)methanimine?
The canonical SMILES for (3-bromo-5-chlorophenyl)methanimine is [H]/N=C/c1cc(Cl)cc(Br)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)methanimine?
The InChIKey is QBVQHFOXNIXYTR-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5BrClN/c8-6-1-5(4-10)2-7(9)3-6/h1-4,10H/b10-4+.
What are the key properties of (3-bromo-5-chlorophenyl)methanimine?
(3-bromo-5-chlorophenyl)methanimine has a molecular weight of 218.48 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)methanimine is sourced from PubChem (CID 176677036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).