(2,4-dichlorophenyl) methanimidate

C7H5Cl2NO — CID 45091448

IUPAC(2,4-dichlorophenyl) methanimidate
SMILES[H]/N=C/Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-5-1-2-7(11-4-10)6(9)3-5/h1-4,10H/b10-4+
InChIKeyWZVBTUVYHLWVLP-ONNFQVAWSA-N
MW190.03 g/mol
LogP2.98
Rot. Bonds2

About (2,4-dichlorophenyl) methanimidate

(2,4-dichlorophenyl) methanimidate (PubChem CID 45091448) has the molecular formula C7H5Cl2NO and a molecular weight of 190.03 g/mol. Its IUPAC name is (2,4-dichlorophenyl) methanimidate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) methanimidate
PubChem CID45091448
Molecular FormulaC7H5Cl2NO
Molecular Weight190.03 g/mol
Exact Mass188.97
IUPAC Name(2,4-dichlorophenyl) methanimidate
SMILES[H]/N=C/Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2NO/c8-5-1-2-7(11-4-10)6(9)3-5/h1-4,10H/b10-4+
InChIKeyWZVBTUVYHLWVLP-ONNFQVAWSA-N
XLogP2.98
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Related Compounds

(2-chloro-4-ethylphenyl) methanimidate
CID 122643512
N-(2,4-dichlorophenoxy)methanamine
CID 174617180
2,4-dichloro-1-(trideuteriomethoxy)benzene
CID 141358841
5-chloro-2-(2,4-dichlorophenoxy)pyridine
CID 66232986
methylamino 2-(2,4-dichlorophenoxy)propanimidate
CID 144509421
bis(2,4-dichlorophenoxy)-prop-1-enylsilane
CID 163490244
2,4-dichloro-1-dimethylphosphoryloxybenzene
CID 20795526
2-(2,4-dichlorophenoxy)propan-2-amine
CID 56841846
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) methanimidate?
The IUPAC name of (2,4-dichlorophenyl) methanimidate (CID 45091448) is (2,4-dichlorophenyl) methanimidate.
What is the SMILES notation for (2,4-dichlorophenyl) methanimidate?
The canonical SMILES for (2,4-dichlorophenyl) methanimidate is [H]/N=C/Oc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl) methanimidate?
The InChIKey is WZVBTUVYHLWVLP-ONNFQVAWSA-N. The full InChI is InChI=1S/C7H5Cl2NO/c8-5-1-2-7(11-4-10)6(9)3-5/h1-4,10H/b10-4+.
What are the key properties of (2,4-dichlorophenyl) methanimidate?
(2,4-dichlorophenyl) methanimidate has a molecular weight of 190.03 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) methanimidate is sourced from PubChem (CID 45091448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).