2-bromo-5-fluoro-3-phenylmethoxypyridine

C12H9BrFNO — CID 151293566

IUPAC2-bromo-5-fluoro-3-phenylmethoxypyridine
SMILESFc1cnc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C12H9BrFNO/c13-12-11(6-10(14)7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOAXYBCIXINQNKL-UHFFFAOYSA-N
MW282.11 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-5-fluoro-3-phenylmethoxypyridine

2-bromo-5-fluoro-3-phenylmethoxypyridine (PubChem CID 151293566) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-5-fluoro-3-phenylmethoxypyridine
PubChem CID151293566
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name2-bromo-5-fluoro-3-phenylmethoxypyridine
SMILESFc1cnc(Br)c(OCc2ccccc2)c1
InChIInChI=1S/C12H9BrFNO/c13-12-11(6-10(14)7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOAXYBCIXINQNKL-UHFFFAOYSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 53.56
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

1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-benzyl-6-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 10150620
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
(1R)-2-bromo-1-(4-fluoro-2-phenylmethoxyphenyl)ethanol
CID 138485730
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
2-bromo-3-chloro-5-phenylmethoxypyridine
CID 71711003
2-bromo-5-chloro-3-phenylmethoxypyrazine
CID 121218855
CID 91468453
CID 91468453
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3-phenylmethoxypyridine?
The IUPAC name of 2-bromo-5-fluoro-3-phenylmethoxypyridine (CID 151293566) is 2-bromo-5-fluoro-3-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-5-fluoro-3-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-5-fluoro-3-phenylmethoxypyridine is Fc1cnc(Br)c(OCc2ccccc2)c1.
What is the InChIKey of 2-bromo-5-fluoro-3-phenylmethoxypyridine?
The InChIKey is OAXYBCIXINQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-12-11(6-10(14)7-15-12)16-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-bromo-5-fluoro-3-phenylmethoxypyridine?
2-bromo-5-fluoro-3-phenylmethoxypyridine has a molecular weight of 282.11 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3-phenylmethoxypyridine is sourced from PubChem (CID 151293566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).