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

C12H7BrClF2NO — CID 166089537

IUPAC6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine
SMILESFc1cc(Cl)ccc1COc1nc(Br)ccc1F
InChIInChI=1S/C12H7BrClF2NO/c13-11-4-3-9(15)12(17-11)18-6-7-1-2-8(14)5-10(7)16/h1-5H,6H2
InChIKeyHCCLQRBCIBALMS-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.35
Rot. Bonds3

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

6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine (PubChem CID 166089537) has the molecular formula C12H7BrClF2NO and a molecular weight of 334.55 g/mol. Its IUPAC name is 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine.

Molecular Properties

Compound Name6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine
PubChem CID166089537
Molecular FormulaC12H7BrClF2NO
Molecular Weight334.55 g/mol
Exact Mass332.94
IUPAC Name6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine
SMILESFc1cc(Cl)ccc1COc1nc(Br)ccc1F
InChIInChI=1S/C12H7BrClF2NO/c13-11-4-3-9(15)12(17-11)18-6-7-1-2-8(14)5-10(7)16/h1-5H,6H2
InChIKeyHCCLQRBCIBALMS-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.55
LogP ≤ 54.35
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-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine?
The IUPAC name of 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine (CID 166089537) is 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine.
What is the SMILES notation for 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine?
The canonical SMILES for 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine is Fc1cc(Cl)ccc1COc1nc(Br)ccc1F.
What is the InChIKey of 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine?
The InChIKey is HCCLQRBCIBALMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO/c13-11-4-3-9(15)12(17-11)18-6-7-1-2-8(14)5-10(7)16/h1-5H,6H2.
What are the key properties of 6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine?
6-bromo-2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine has a molecular weight of 334.55 g/mol, XLogP of 4.35, 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-chloro-2-fluorophenyl)methoxy]-3-fluoropyridine is sourced from PubChem (CID 166089537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).