2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine

C12H9ClFNO — CID 70459187

IUPAC2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine
SMILESCc1ccc(F)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9ClFNO/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,1H3
InChIKeyLETBSIZAGXORGT-UHFFFAOYSA-N
MW237.66 g/mol
LogP3.97
Rot. Bonds2

About 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine

2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine (PubChem CID 70459187) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine
PubChem CID70459187
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine
SMILESCc1ccc(F)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9ClFNO/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,1H3
InChIKeyLETBSIZAGXORGT-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine?
The IUPAC name of 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine (CID 70459187) is 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine?
The canonical SMILES for 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine is Cc1ccc(F)c(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine?
The InChIKey is LETBSIZAGXORGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c1-8-2-7-11(14)12(15-8)16-10-5-3-9(13)4-6-10/h2-7H,1H3.
What are the key properties of 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine?
2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine has a molecular weight of 237.66 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-fluoro-6-methylpyridine is sourced from PubChem (CID 70459187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).