5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine

C17H18FNO — CID 168883114

IUPAC5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine
SMILESCOc1cc(/C=C/c2ccc(F)cc2)cnc1C(C)C
InChIInChI=1S/C17H18FNO/c1-12(2)17-16(20-3)10-14(11-19-17)5-4-13-6-8-15(18)9-7-13/h4-12H,1-3H3/b5-4+
InChIKeyKJVGHLJKXZJKSK-SNAWJCMRSA-N
MW271.34 g/mol
LogP4.52
Rot. Bonds4

About 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine

5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine (PubChem CID 168883114) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine
PubChem CID168883114
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine
SMILESCOc1cc(/C=C/c2ccc(F)cc2)cnc1C(C)C
InChIInChI=1S/C17H18FNO/c1-12(2)17-16(20-3)10-14(11-19-17)5-4-13-6-8-15(18)9-7-13/h4-12H,1-3H3/b5-4+
InChIKeyKJVGHLJKXZJKSK-SNAWJCMRSA-N
XLogP4.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine (CID 168883114) is 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine is COc1cc(/C=C/c2ccc(F)cc2)cnc1C(C)C.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine?
The InChIKey is KJVGHLJKXZJKSK-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12(2)17-16(20-3)10-14(11-19-17)5-4-13-6-8-15(18)9-7-13/h4-12H,1-3H3/b5-4+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine?
5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine has a molecular weight of 271.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)ethenyl]-3-methoxy-2-propan-2-ylpyridine is sourced from PubChem (CID 168883114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).