2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine

C13H10Cl2FNO — CID 106994592

IUPAC2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine
SMILESFc1ccccc1COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-12-6-5-10(13(15)17-12)8-18-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2
InChIKeyAEYPIXJNSBIRPB-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.24
Rot. Bonds4

About 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine

2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine (PubChem CID 106994592) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine
PubChem CID106994592
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine
SMILESFc1ccccc1COCc1ccc(Cl)nc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-12-6-5-10(13(15)17-12)8-18-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2
InChIKeyAEYPIXJNSBIRPB-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine (CID 106994592) is 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine is Fc1ccccc1COCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine?
The InChIKey is AEYPIXJNSBIRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-12-6-5-10(13(15)17-12)8-18-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2.
What are the key properties of 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine?
2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine has a molecular weight of 286.13 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(2-fluorophenyl)methoxymethyl]pyridine is sourced from PubChem (CID 106994592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).