2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine

C12H6BrCl2F2NO — CID 114042760

IUPAC2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
SMILESFc1cc(Oc2nccc(CCl)c2F)c(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F2NO/c13-7-3-8(15)9(16)4-10(7)19-12-11(17)6(5-14)1-2-18-12/h1-4H,5H2
InChIKeyIFLVIRSAOFSDKW-UHFFFAOYSA-N
MW368.99 g/mol
LogP5.31
Rot. Bonds3

About 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine

2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine (PubChem CID 114042760) has the molecular formula C12H6BrCl2F2NO and a molecular weight of 368.99 g/mol. Its IUPAC name is 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine.

Molecular Properties

Compound Name2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
PubChem CID114042760
Molecular FormulaC12H6BrCl2F2NO
Molecular Weight368.99 g/mol
Exact Mass366.90
IUPAC Name2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine
SMILESFc1cc(Oc2nccc(CCl)c2F)c(Br)cc1Cl
InChIInChI=1S/C12H6BrCl2F2NO/c13-7-3-8(15)9(16)4-10(7)19-12-11(17)6(5-14)1-2-18-12/h1-4H,5H2
InChIKeyIFLVIRSAOFSDKW-UHFFFAOYSA-N
XLogP5.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.99
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-5-chloro-2-[2-chloro-6-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114068078
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
4-(2-bromo-4-chloro-5-fluorophenoxy)-2-chloro-5-fluoropyrimidine
CID 114042647
[4-(2-bromo-4-chloro-5-fluorophenoxy)pyrimidin-5-yl]methanol
CID 114215368
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
[2-(2-bromo-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391301
4-(chloromethyl)-3-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747282
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
[2-(2-chlorophenoxy)-3-fluoro-4-pyridinyl]methanol
CID 105383259
[2-(2-chloro-4-methylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391433
1-bromo-5-chloro-4-fluoro-2-(methylsulfanylmethoxy)benzene
CID 131020668

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine?
The IUPAC name of 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine (CID 114042760) is 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine.
What is the SMILES notation for 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine?
The canonical SMILES for 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine is Fc1cc(Oc2nccc(CCl)c2F)c(Br)cc1Cl.
What is the InChIKey of 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine?
The InChIKey is IFLVIRSAOFSDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F2NO/c13-7-3-8(15)9(16)4-10(7)19-12-11(17)6(5-14)1-2-18-12/h1-4H,5H2.
What are the key properties of 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine?
2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine has a molecular weight of 368.99 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chloro-5-fluorophenoxy)-4-(chloromethyl)-3-fluoropyridine is sourced from PubChem (CID 114042760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).