4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine

C15H14FNO — CID 90455512

IUPAC4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine
SMILESC/C=C/c1ccc(COc2cc(F)ccn2)cc1
InChIInChI=1S/C15H14FNO/c1-2-3-12-4-6-13(7-5-12)11-18-15-10-14(16)8-9-17-15/h2-10H,11H2,1H3/b3-2+
InChIKeyBQTQULLENHMUQZ-NSCUHMNNSA-N
MW243.28 g/mol
LogP3.83
Rot. Bonds4

About 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine

4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine (PubChem CID 90455512) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine
PubChem CID90455512
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine
SMILESC/C=C/c1ccc(COc2cc(F)ccn2)cc1
InChIInChI=1S/C15H14FNO/c1-2-3-12-4-6-13(7-5-12)11-18-15-10-14(16)8-9-17-15/h2-10H,11H2,1H3/b3-2+
InChIKeyBQTQULLENHMUQZ-NSCUHMNNSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine?
The IUPAC name of 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine (CID 90455512) is 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine?
The canonical SMILES for 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine is C/C=C/c1ccc(COc2cc(F)ccn2)cc1.
What is the InChIKey of 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine?
The InChIKey is BQTQULLENHMUQZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H14FNO/c1-2-3-12-4-6-13(7-5-12)11-18-15-10-14(16)8-9-17-15/h2-10H,11H2,1H3/b3-2+.
What are the key properties of 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine?
4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine has a molecular weight of 243.28 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[4-[(E)-prop-1-enyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 90455512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).