6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine

C12H8BrClFNO — CID 166089559

IUPAC6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine
SMILESFc1ccc(Br)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H8BrClFNO/c13-11-6-5-10(15)12(16-11)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyDVHPNJFFCXPEST-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.22
Rot. Bonds3

About 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine

6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine (PubChem CID 166089559) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine.

Molecular Properties

Compound Name6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine
PubChem CID166089559
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine
SMILESFc1ccc(Br)nc1OCc1ccc(Cl)cc1
InChIInChI=1S/C12H8BrClFNO/c13-11-6-5-10(15)12(16-11)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2
InChIKeyDVHPNJFFCXPEST-UHFFFAOYSA-N
XLogP4.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.22
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 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine?
The IUPAC name of 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine (CID 166089559) is 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine.
What is the SMILES notation for 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine?
The canonical SMILES for 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine is Fc1ccc(Br)nc1OCc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine?
The InChIKey is DVHPNJFFCXPEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-11-6-5-10(15)12(16-11)17-7-8-1-3-9(14)4-2-8/h1-6H,7H2.
What are the key properties of 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine?
6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine has a molecular weight of 316.56 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(4-chlorophenyl)methoxy]-3-fluoropyridine is sourced from PubChem (CID 166089559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).