2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine

C12H8BrF2NO — CID 103695236

IUPAC2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
SMILESFc1ccc(COc2ccc(Br)nc2)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-12-4-2-9(6-16-12)17-7-8-1-3-10(14)11(15)5-8/h1-6H,7H2
InChIKeyJDVJDRBXHOXNDD-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.70
Rot. Bonds3

About 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine

2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine (PubChem CID 103695236) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine.

Molecular Properties

Compound Name2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
PubChem CID103695236
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine
SMILESFc1ccc(COc2ccc(Br)nc2)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-12-4-2-9(6-16-12)17-7-8-1-3-10(14)11(15)5-8/h1-6H,7H2
InChIKeyJDVJDRBXHOXNDD-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.70
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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Related Compounds

[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409
5-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenoxy)pyridine
CID 141305084
2-bromo-5-[(2-fluorophenyl)methoxy]pyridine
CID 59596668
[2-bromo-5-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 82918272
5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794837
3-[(6-bromo-3-pyridinyl)oxymethyl]-5-fluorobenzonitrile
CID 107396789
[7-[(3,4-difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]methanol
CID 86301659
2-bromo-5-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 82918902
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
5-[(4-chlorophenyl)methoxy]-2-fluoropyridine
CID 115282951
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine?
The IUPAC name of 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine (CID 103695236) is 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine.
What is the SMILES notation for 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine?
The canonical SMILES for 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine is Fc1ccc(COc2ccc(Br)nc2)cc1F.
What is the InChIKey of 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine?
The InChIKey is JDVJDRBXHOXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-12-4-2-9(6-16-12)17-7-8-1-3-10(14)11(15)5-8/h1-6H,7H2.
What are the key properties of 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine?
2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine has a molecular weight of 300.10 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3,4-difluorophenyl)methoxy]pyridine is sourced from PubChem (CID 103695236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).