N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide

C10H9BrFN3 — CID 75201679

IUPACN'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(Br)cc(F)c1C#N
InChIInChI=1S/C10H9BrFN3/c1-15(2)6-14-10-4-7(11)3-9(12)8(10)5-13/h3-4,6H,1-2H3/b14-6+
InChIKeyWFSBUKVQYMFJDJ-MKMNVTDBSA-N
MW270.11 g/mol
LogP2.68
Rot. Bonds2

About N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide

N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide (PubChem CID 75201679) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide
PubChem CID75201679
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC NameN'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cc(Br)cc(F)c1C#N
InChIInChI=1S/C10H9BrFN3/c1-15(2)6-14-10-4-7(11)3-9(12)8(10)5-13/h3-4,6H,1-2H3/b14-6+
InChIKeyWFSBUKVQYMFJDJ-MKMNVTDBSA-N
XLogP2.68
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide (CID 75201679) is N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cc(Br)cc(F)c1C#N.
What is the InChIKey of N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide?
The InChIKey is WFSBUKVQYMFJDJ-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H9BrFN3/c1-15(2)6-14-10-4-7(11)3-9(12)8(10)5-13/h3-4,6H,1-2H3/b14-6+.
What are the key properties of N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide?
N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide has a molecular weight of 270.11 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-2-cyano-3-fluorophenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 75201679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).