2-[4-(difluoromethoxy)phenyl]-5-propylpyridine

C15H15F2NO — CID 2861850

IUPAC2-[4-(difluoromethoxy)phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C15H15F2NO/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)19-15(16)17/h4-10,15H,2-3H2,1H3
InChIKeyWXMGNEUOUCHXAP-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.30
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine

2-[4-(difluoromethoxy)phenyl]-5-propylpyridine (PubChem CID 2861850) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-propylpyridine
PubChem CID2861850
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-propylpyridine
SMILESCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C15H15F2NO/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)19-15(16)17/h4-10,15H,2-3H2,1H3
InChIKeyWXMGNEUOUCHXAP-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine (CID 2861850) is 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine is CCCc1ccc(-c2ccc(OC(F)F)cc2)nc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine?
The InChIKey is WXMGNEUOUCHXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-2-3-11-4-9-14(18-10-11)12-5-7-13(8-6-12)19-15(16)17/h4-10,15H,2-3H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine?
2-[4-(difluoromethoxy)phenyl]-5-propylpyridine has a molecular weight of 263.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-5-propylpyridine is sourced from PubChem (CID 2861850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).