5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine

C12H8BrF2NO — CID 107087768

IUPAC5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2ccc(CBr)cn2)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-6-8-1-4-12(16-7-8)17-9-2-3-10(14)11(15)5-9/h1-5,7H,6H2
InChIKeyALWXHSYUYSJYIQ-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.05
Rot. Bonds3

About 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine

5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine (PubChem CID 107087768) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine.

Molecular Properties

Compound Name5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
PubChem CID107087768
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine
SMILESFc1ccc(Oc2ccc(CBr)cn2)cc1F
InChIInChI=1S/C12H8BrF2NO/c13-6-8-1-4-12(16-7-8)17-9-2-3-10(14)11(15)5-9/h1-5,7H,6H2
InChIKeyALWXHSYUYSJYIQ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-2-(3-chlorophenoxy)pyridine
CID 107087158
5-(bromomethyl)-2-(6-bromonaphthalen-2-yl)oxypyridine
CID 107087262
2-(4-chloro-3-fluorophenoxy)-5-(chloromethyl)pyridine
CID 82716658
7-[[5-(bromomethyl)-2-pyridinyl]oxy]quinoline
CID 107314168
5-(bromomethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 107086855
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
5-(bromomethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
CID 107086966
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
[2-(3,4-difluorophenoxy)pyrimidin-5-yl]methanol
CID 113387914
2-(3-bromo-4-fluorophenoxy)-5-chloropyridine
CID 83233863

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine?
The IUPAC name of 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine (CID 107087768) is 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine.
What is the SMILES notation for 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine?
The canonical SMILES for 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine is Fc1ccc(Oc2ccc(CBr)cn2)cc1F.
What is the InChIKey of 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine?
The InChIKey is ALWXHSYUYSJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-6-8-1-4-12(16-7-8)17-9-2-3-10(14)11(15)5-9/h1-5,7H,6H2.
What are the key properties of 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine?
5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine has a molecular weight of 300.10 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-(3,4-difluorophenoxy)pyridine is sourced from PubChem (CID 107087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).