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

C17H19F2NO — CID 2056967

IUPAC2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C17H19F2NO/c1-2-3-4-5-13-6-11-16(20-12-13)14-7-9-15(10-8-14)21-17(18)19/h6-12,17H,2-5H2,1H3
InChIKeySUPYYBCDJSQNCB-UHFFFAOYSA-N
MW291.34 g/mol
LogP5.08
Rot. Bonds7

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

2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine (PubChem CID 2056967) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine
PubChem CID2056967
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1
InChIInChI=1S/C17H19F2NO/c1-2-3-4-5-13-6-11-16(20-12-13)14-7-9-15(10-8-14)21-17(18)19/h6-12,17H,2-5H2,1H3
InChIKeySUPYYBCDJSQNCB-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.34
LogP ≤ 55.08
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-pentylpyridine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine (CID 2056967) is 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(OC(F)F)cc2)nc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine?
The InChIKey is SUPYYBCDJSQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-3-4-5-13-6-11-16(20-12-13)14-7-9-15(10-8-14)21-17(18)19/h6-12,17H,2-5H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine?
2-[4-(difluoromethoxy)phenyl]-5-pentylpyridine has a molecular weight of 291.34 g/mol, XLogP of 5.08, 7 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-pentylpyridine is sourced from PubChem (CID 2056967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).