2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine

C25H24FN — CID 67636736

IUPAC2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine
SMILESC=CCc1cccc(-c2ccc3cc(C#CCCCC(C)F)ccc3c2)n1
InChIInChI=1S/C25H24FN/c1-3-8-24-11-7-12-25(27-24)23-16-15-21-17-20(13-14-22(21)18-23)10-6-4-5-9-19(2)26/h3,7,11-19H,1,4-5,8-9H2,2H3
InChIKeyGZSAAAYVDDQOFA-UHFFFAOYSA-N
MW357.47 g/mol
LogP6.51
Rot. Bonds6

About 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine

2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine (PubChem CID 67636736) has the molecular formula C25H24FN and a molecular weight of 357.47 g/mol. Its IUPAC name is 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine.

Molecular Properties

Compound Name2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine
PubChem CID67636736
Molecular FormulaC25H24FN
Molecular Weight357.47 g/mol
Exact Mass357.19
IUPAC Name2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine
SMILESC=CCc1cccc(-c2ccc3cc(C#CCCCC(C)F)ccc3c2)n1
InChIInChI=1S/C25H24FN/c1-3-8-24-11-7-12-25(27-24)23-16-15-21-17-20(13-14-22(21)18-23)10-6-4-5-9-19(2)26/h3,7,11-19H,1,4-5,8-9H2,2H3
InChIKeyGZSAAAYVDDQOFA-UHFFFAOYSA-N
XLogP6.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.47
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine?
The IUPAC name of 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine (CID 67636736) is 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine.
What is the SMILES notation for 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine?
The canonical SMILES for 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine is C=CCc1cccc(-c2ccc3cc(C#CCCCC(C)F)ccc3c2)n1.
What is the InChIKey of 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine?
The InChIKey is GZSAAAYVDDQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN/c1-3-8-24-11-7-12-25(27-24)23-16-15-21-17-20(13-14-22(21)18-23)10-6-4-5-9-19(2)26/h3,7,11-19H,1,4-5,8-9H2,2H3.
What are the key properties of 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine?
2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine has a molecular weight of 357.47 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-fluorohept-1-ynyl)naphthalen-2-yl]-6-prop-2-enylpyridine is sourced from PubChem (CID 67636736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).