2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine

C13H8BrClF3NO — CID 166089631

IUPAC2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine
SMILESFc1cc(Cl)ccc1COc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C13H8BrClF3NO/c14-11-3-8(13(17)18)4-12(19-11)20-6-7-1-2-9(15)5-10(7)16/h1-5,13H,6H2
InChIKeyNGSQUKMZPZVQIZ-UHFFFAOYSA-N
MW366.56 g/mol
LogP5.15
Rot. Bonds4

About 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine

2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine (PubChem CID 166089631) has the molecular formula C13H8BrClF3NO and a molecular weight of 366.56 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine
PubChem CID166089631
Molecular FormulaC13H8BrClF3NO
Molecular Weight366.56 g/mol
Exact Mass364.94
IUPAC Name2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine
SMILESFc1cc(Cl)ccc1COc1cc(C(F)F)cc(Br)n1
InChIInChI=1S/C13H8BrClF3NO/c14-11-3-8(13(17)18)4-12(19-11)20-6-7-1-2-9(15)5-10(7)16/h1-5,13H,6H2
InChIKeyNGSQUKMZPZVQIZ-UHFFFAOYSA-N
XLogP5.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.56
LogP ≤ 55.15
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-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine (CID 166089631) is 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine is Fc1cc(Cl)ccc1COc1cc(C(F)F)cc(Br)n1.
What is the InChIKey of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine?
The InChIKey is NGSQUKMZPZVQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF3NO/c14-11-3-8(13(17)18)4-12(19-11)20-6-7-1-2-9(15)5-10(7)16/h1-5,13H,6H2.
What are the key properties of 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine?
2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine has a molecular weight of 366.56 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-chloro-2-fluorophenyl)methoxy]-4-(difluoromethyl)pyridine is sourced from PubChem (CID 166089631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).