2-(2-chloro-6-fluorophenyl)-1H-perimidine

C17H10ClFN2 — CID 110538756

IUPAC2-(2-chloro-6-fluorophenyl)-1H-perimidine
SMILESFc1cccc(Cl)c1C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H10ClFN2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9H,(H,20,21)
InChIKeyULSLQKDUYPTGMP-UHFFFAOYSA-N
MW296.73 g/mol
LogP5.14
Rot. Bonds1

About 2-(2-chloro-6-fluorophenyl)-1H-perimidine

2-(2-chloro-6-fluorophenyl)-1H-perimidine (PubChem CID 110538756) has the molecular formula C17H10ClFN2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1H-perimidine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1H-perimidine
PubChem CID110538756
Molecular FormulaC17H10ClFN2
Molecular Weight296.73 g/mol
Exact Mass296.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-1H-perimidine
SMILESFc1cccc(Cl)c1C1=Nc2cccc3cccc(c23)N1
InChIInChI=1S/C17H10ClFN2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9H,(H,20,21)
InChIKeyULSLQKDUYPTGMP-UHFFFAOYSA-N
XLogP5.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.73
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1H-perimidine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1H-perimidine (CID 110538756) is 2-(2-chloro-6-fluorophenyl)-1H-perimidine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1H-perimidine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1H-perimidine is Fc1cccc(Cl)c1C1=Nc2cccc3cccc(c23)N1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1H-perimidine?
The InChIKey is ULSLQKDUYPTGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2/c18-11-6-3-7-12(19)16(11)17-20-13-8-1-4-10-5-2-9-14(21-17)15(10)13/h1-9H,(H,20,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1H-perimidine?
2-(2-chloro-6-fluorophenyl)-1H-perimidine has a molecular weight of 296.73 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1H-perimidine is sourced from PubChem (CID 110538756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).