5-chloro-4-fluoro-2-methanimidoylaniline

C7H6ClFN2 — CID 143458894

IUPAC5-chloro-4-fluoro-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(F)c(Cl)cc1N
InChIInChI=1S/C7H6ClFN2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-3,10H,11H2/b10-3+
InChIKeyFMSUSXDCYCTEFA-XCVCLJGOSA-N
MW172.59 g/mol
LogP2.06
Rot. Bonds1

About 5-chloro-4-fluoro-2-methanimidoylaniline

5-chloro-4-fluoro-2-methanimidoylaniline (PubChem CID 143458894) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-methanimidoylaniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-methanimidoylaniline
PubChem CID143458894
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name5-chloro-4-fluoro-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(F)c(Cl)cc1N
InChIInChI=1S/C7H6ClFN2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-3,10H,11H2/b10-3+
InChIKeyFMSUSXDCYCTEFA-XCVCLJGOSA-N
XLogP2.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 52.06
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-methanimidoylaniline?
The IUPAC name of 5-chloro-4-fluoro-2-methanimidoylaniline (CID 143458894) is 5-chloro-4-fluoro-2-methanimidoylaniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-methanimidoylaniline?
The canonical SMILES for 5-chloro-4-fluoro-2-methanimidoylaniline is [H]/N=C/c1cc(F)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-fluoro-2-methanimidoylaniline?
The InChIKey is FMSUSXDCYCTEFA-XCVCLJGOSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-5-2-7(11)4(3-10)1-6(5)9/h1-3,10H,11H2/b10-3+.
What are the key properties of 5-chloro-4-fluoro-2-methanimidoylaniline?
5-chloro-4-fluoro-2-methanimidoylaniline has a molecular weight of 172.59 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-methanimidoylaniline is sourced from PubChem (CID 143458894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).