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

C19H23F2NO — CID 4023291

IUPAC2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C19H23F2NO/c1-2-3-4-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)23-19(20)21/h8-14,19H,2-7H2,1H3
InChIKeyFQKTYGJXRYYNTG-UHFFFAOYSA-N
MW319.40 g/mol
LogP5.86
Rot. Bonds9

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

2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine (PubChem CID 4023291) has the molecular formula C19H23F2NO and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine
PubChem CID4023291
Molecular FormulaC19H23F2NO
Molecular Weight319.40 g/mol
Exact Mass319.17
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine
SMILESCCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C19H23F2NO/c1-2-3-4-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)23-19(20)21/h8-14,19H,2-7H2,1H3
InChIKeyFQKTYGJXRYYNTG-UHFFFAOYSA-N
XLogP5.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.40
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine (CID 4023291) is 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine is CCCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine?
The InChIKey is FQKTYGJXRYYNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-2-3-4-5-6-7-15-8-13-18(22-14-15)16-9-11-17(12-10-16)23-19(20)21/h8-14,19H,2-7H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine?
2-[4-(difluoromethoxy)phenyl]-5-heptylpyridine has a molecular weight of 319.40 g/mol, XLogP of 5.86, 9 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-heptylpyridine is sourced from PubChem (CID 4023291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).