4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one

C12H7BrCl2FNO2 — CID 172810293

IUPAC4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one
SMILESCn1ccc(Br)c(Oc2c(Cl)cc(F)cc2Cl)c1=O
InChIInChI=1S/C12H7BrCl2FNO2/c1-17-3-2-7(13)10(12(17)18)19-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3
InChIKeySBTPXVXAXOGBPN-UHFFFAOYSA-N
MW367.00 g/mol
LogP4.39
Rot. Bonds2

About 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one

4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one (PubChem CID 172810293) has the molecular formula C12H7BrCl2FNO2 and a molecular weight of 367.00 g/mol. Its IUPAC name is 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one
PubChem CID172810293
Molecular FormulaC12H7BrCl2FNO2
Molecular Weight367.00 g/mol
Exact Mass364.90
IUPAC Name4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one
SMILESCn1ccc(Br)c(Oc2c(Cl)cc(F)cc2Cl)c1=O
InChIInChI=1S/C12H7BrCl2FNO2/c1-17-3-2-7(13)10(12(17)18)19-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3
InChIKeySBTPXVXAXOGBPN-UHFFFAOYSA-N
XLogP4.39
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.00
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one?
The IUPAC name of 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one (CID 172810293) is 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one.
What is the SMILES notation for 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one?
The canonical SMILES for 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one is Cn1ccc(Br)c(Oc2c(Cl)cc(F)cc2Cl)c1=O.
What is the InChIKey of 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one?
The InChIKey is SBTPXVXAXOGBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2/c1-17-3-2-7(13)10(12(17)18)19-11-8(14)4-6(16)5-9(11)15/h2-5H,1H3.
What are the key properties of 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one?
4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one has a molecular weight of 367.00 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,6-dichloro-4-fluorophenoxy)-1-methylpyridin-2-one is sourced from PubChem (CID 172810293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).