5-bromo-3-chloro-2-methanimidoylaniline

C7H6BrClN2 — CID 142525123

IUPAC5-bromo-3-chloro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,10H,11H2/b10-3+
InChIKeyHKCJLOQUTNZLCI-XCVCLJGOSA-N
MW233.50 g/mol
LogP2.68
Rot. Bonds1

About 5-bromo-3-chloro-2-methanimidoylaniline

5-bromo-3-chloro-2-methanimidoylaniline (PubChem CID 142525123) has the molecular formula C7H6BrClN2 and a molecular weight of 233.50 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methanimidoylaniline.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methanimidoylaniline
PubChem CID142525123
Molecular FormulaC7H6BrClN2
Molecular Weight233.50 g/mol
Exact Mass231.94
IUPAC Name5-bromo-3-chloro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(Br)cc1Cl
InChIInChI=1S/C7H6BrClN2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,10H,11H2/b10-3+
InChIKeyHKCJLOQUTNZLCI-XCVCLJGOSA-N
XLogP2.68
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methanimidoyl-3-methoxyaniline
CID 130265419
3-bromo-2-methanimidoyl-5-methylaniline
CID 142352138
ethyl 3-amino-5-bromo-2-methanimidoylbenzoate
CID 156711204
(3-bromo-5-chlorophenyl)methanimine
CID 176677036
N-(3-amino-5-bromo-2-methanimidoylphenyl)-4-methylbenzenesulfinamide
CID 143903811
3-bromo-2-methanimidoyl-5-nitroaniline
CID 142352146
ethane;2-methanimidoyl-3,4,5-trimethylaniline
CID 169182413
2-methanimidoylbenzene-1,3-diamine
CID 88563224
O-[1-(3-amino-5-chloro-2-methanimidoylphenyl)ethyl]hydroxylamine
CID 121326871
3-chloro-2-methanimidoyl-4-methylaniline
CID 89070323
1-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpiperidin-4-amine
CID 121326495
5-chloro-2-methanimidoyl-3-[4-(methylamino)phenyl]aniline
CID 121326587

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methanimidoylaniline?
The IUPAC name of 5-bromo-3-chloro-2-methanimidoylaniline (CID 142525123) is 5-bromo-3-chloro-2-methanimidoylaniline.
What is the SMILES notation for 5-bromo-3-chloro-2-methanimidoylaniline?
The canonical SMILES for 5-bromo-3-chloro-2-methanimidoylaniline is [H]/N=C/c1c(N)cc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-methanimidoylaniline?
The InChIKey is HKCJLOQUTNZLCI-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H6BrClN2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,10H,11H2/b10-3+.
What are the key properties of 5-bromo-3-chloro-2-methanimidoylaniline?
5-bromo-3-chloro-2-methanimidoylaniline has a molecular weight of 233.50 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-methanimidoylaniline is sourced from PubChem (CID 142525123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).