3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine

C20H18FNO — CID 159261513

IUPAC3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine
SMILESC=C1C(F)=CC(C)=C(c2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C20H18FNO/c1-15-13-19(21)16(2)22(20(15)18-11-7-4-8-12-18)23-14-17-9-5-3-6-10-17/h3-13H,2,14H2,1H3
InChIKeyKWOKXGDJVMANCV-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.23
Rot. Bonds4

About 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine

3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine (PubChem CID 159261513) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine
PubChem CID159261513
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine
SMILESC=C1C(F)=CC(C)=C(c2ccccc2)N1OCc1ccccc1
InChIInChI=1S/C20H18FNO/c1-15-13-19(21)16(2)22(20(15)18-11-7-4-8-12-18)23-14-17-9-5-3-6-10-17/h3-13H,2,14H2,1H3
InChIKeyKWOKXGDJVMANCV-UHFFFAOYSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine?
The IUPAC name of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine (CID 159261513) is 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine.
What is the SMILES notation for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine?
The canonical SMILES for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine is C=C1C(F)=CC(C)=C(c2ccccc2)N1OCc1ccccc1.
What is the InChIKey of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine?
The InChIKey is KWOKXGDJVMANCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c1-15-13-19(21)16(2)22(20(15)18-11-7-4-8-12-18)23-14-17-9-5-3-6-10-17/h3-13H,2,14H2,1H3.
What are the key properties of 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine?
3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine has a molecular weight of 307.37 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-methylidene-6-phenyl-1-phenylmethoxypyridine is sourced from PubChem (CID 159261513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).