5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine

C19H14ClF2NO2 — CID 19875991

IUPAC5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine
SMILESCc1ccc(COc2ccc(Oc3ccc(F)cc3F)cc2Cl)cn1
InChIInChI=1S/C19H14ClF2NO2/c1-12-2-3-13(10-23-12)11-24-18-7-5-15(9-16(18)20)25-19-6-4-14(21)8-17(19)22/h2-10H,11H2,1H3
InChIKeyZFUKELBNTKOTJN-UHFFFAOYSA-N
MW361.78 g/mol
LogP5.69
Rot. Bonds5

About 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine

5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine (PubChem CID 19875991) has the molecular formula C19H14ClF2NO2 and a molecular weight of 361.78 g/mol. Its IUPAC name is 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine
PubChem CID19875991
Molecular FormulaC19H14ClF2NO2
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Name5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine
SMILESCc1ccc(COc2ccc(Oc3ccc(F)cc3F)cc2Cl)cn1
InChIInChI=1S/C19H14ClF2NO2/c1-12-2-3-13(10-23-12)11-24-18-7-5-15(9-16(18)20)25-19-6-4-14(21)8-17(19)22/h2-10H,11H2,1H3
InChIKeyZFUKELBNTKOTJN-UHFFFAOYSA-N
XLogP5.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.78
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine?
The IUPAC name of 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine (CID 19875991) is 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine is Cc1ccc(COc2ccc(Oc3ccc(F)cc3F)cc2Cl)cn1.
What is the InChIKey of 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine?
The InChIKey is ZFUKELBNTKOTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2/c1-12-2-3-13(10-23-12)11-24-18-7-5-15(9-16(18)20)25-19-6-4-14(21)8-17(19)22/h2-10H,11H2,1H3.
What are the key properties of 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine?
5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine has a molecular weight of 361.78 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine is sourced from PubChem (CID 19875991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).