2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine

C21H24FNO — CID 67637585

IUPAC2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine
SMILESC=CCOc1cc(-c2ccccn2)ccc1C=CCCCC(C)F
InChIInChI=1S/C21H24FNO/c1-3-15-24-21-16-19(20-11-7-8-14-23-20)13-12-18(21)10-6-4-5-9-17(2)22/h3,6-8,10-14,16-17H,1,4-5,9,15H2,2H3
InChIKeyJGECKYDFCKAGCB-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.85
Rot. Bonds9

About 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine

2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine (PubChem CID 67637585) has the molecular formula C21H24FNO and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine
PubChem CID67637585
Molecular FormulaC21H24FNO
Molecular Weight325.43 g/mol
Exact Mass325.18
IUPAC Name2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine
SMILESC=CCOc1cc(-c2ccccn2)ccc1C=CCCCC(C)F
InChIInChI=1S/C21H24FNO/c1-3-15-24-21-16-19(20-11-7-8-14-23-20)13-12-18(21)10-6-4-5-9-17(2)22/h3,6-8,10-14,16-17H,1,4-5,9,15H2,2H3
InChIKeyJGECKYDFCKAGCB-UHFFFAOYSA-N
XLogP5.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine?
The IUPAC name of 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine (CID 67637585) is 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine.
What is the SMILES notation for 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine?
The canonical SMILES for 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine is C=CCOc1cc(-c2ccccn2)ccc1C=CCCCC(C)F.
What is the InChIKey of 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine?
The InChIKey is JGECKYDFCKAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO/c1-3-15-24-21-16-19(20-11-7-8-14-23-20)13-12-18(21)10-6-4-5-9-17(2)22/h3,6-8,10-14,16-17H,1,4-5,9,15H2,2H3.
What are the key properties of 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine?
2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine has a molecular weight of 325.43 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluorohept-1-enyl)-3-prop-2-enoxyphenyl]pyridine is sourced from PubChem (CID 67637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).