2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine

C12H7BrClF2NO — CID 166089836

IUPAC2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine
SMILESFc1c(Cl)ccc(COc2cccc(Br)n2)c1F
InChIInChI=1S/C12H7BrClF2NO/c13-9-2-1-3-10(17-9)18-6-7-4-5-8(14)12(16)11(7)15/h1-5H,6H2
InChIKeyMQMCCPACPBJPIV-UHFFFAOYSA-N
MW334.55 g/mol
LogP4.35
Rot. Bonds3

About 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine

2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine (PubChem CID 166089836) has the molecular formula C12H7BrClF2NO and a molecular weight of 334.55 g/mol. Its IUPAC name is 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine
PubChem CID166089836
Molecular FormulaC12H7BrClF2NO
Molecular Weight334.55 g/mol
Exact Mass332.94
IUPAC Name2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine
SMILESFc1c(Cl)ccc(COc2cccc(Br)n2)c1F
InChIInChI=1S/C12H7BrClF2NO/c13-9-2-1-3-10(17-9)18-6-7-4-5-8(14)12(16)11(7)15/h1-5H,6H2
InChIKeyMQMCCPACPBJPIV-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine (CID 166089836) is 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine is Fc1c(Cl)ccc(COc2cccc(Br)n2)c1F.
What is the InChIKey of 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine?
The InChIKey is MQMCCPACPBJPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF2NO/c13-9-2-1-3-10(17-9)18-6-7-4-5-8(14)12(16)11(7)15/h1-5H,6H2.
What are the key properties of 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine?
2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine 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 2-bromo-6-[(4-chloro-2,3-difluorophenyl)methoxy]pyridine is sourced from PubChem (CID 166089836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).