4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine

C12H8BrClFNO — CID 65201517

IUPAC4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
SMILESFc1cc(Oc2ccnc(CCl)c2)ccc1Br
InChIInChI=1S/C12H8BrClFNO/c13-11-2-1-9(6-12(11)15)17-10-3-4-16-8(5-10)7-14/h1-6H,7H2
InChIKeyWWQBMEODGXAPPH-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.51
Rot. Bonds3

About 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine

4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine (PubChem CID 65201517) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
PubChem CID65201517
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine
SMILESFc1cc(Oc2ccnc(CCl)c2)ccc1Br
InChIInChI=1S/C12H8BrClFNO/c13-11-2-1-9(6-12(11)15)17-10-3-4-16-8(5-10)7-14/h1-6H,7H2
InChIKeyWWQBMEODGXAPPH-UHFFFAOYSA-N
XLogP4.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.51
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

4-(4-bromo-3-methylphenoxy)-2-(chloromethyl)pyridine
CID 83134736
2-(4-bromo-3-fluorophenoxy)-5-(chloromethyl)pyrazine
CID 107373790
[4-(3-bromo-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 83232159
2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
CID 63446226
2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817
[2-(4-bromo-3-fluorophenoxy)pyrimidin-4-yl]methanamine
CID 107542699
2-[(4-bromo-3-fluorophenoxy)methyl]-4-(chloromethyl)-1,3-thiazole
CID 65201654
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501
2-(4-bromo-3-fluorophenoxy)-3,5-difluoropyridine
CID 112675508
4-(4-bromo-3-fluorophenoxy)quinoline
CID 65203118
2-(chloromethyl)-4-naphthalen-1-yloxypyridine
CID 61269548
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CID 107282562

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine?
The IUPAC name of 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine (CID 65201517) is 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine.
What is the SMILES notation for 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine?
The canonical SMILES for 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine is Fc1cc(Oc2ccnc(CCl)c2)ccc1Br.
What is the InChIKey of 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine?
The InChIKey is WWQBMEODGXAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-11-2-1-9(6-12(11)15)17-10-3-4-16-8(5-10)7-14/h1-6H,7H2.
What are the key properties of 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine?
4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine has a molecular weight of 316.56 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-fluorophenoxy)-2-(chloromethyl)pyridine is sourced from PubChem (CID 65201517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).