3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine

C18H14FNO — CID 70949069

IUPAC3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine
SMILESCc1ccccc1-c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H14FNO/c1-13-5-2-3-7-18(13)14-9-15(19)11-17(10-14)21-16-6-4-8-20-12-16/h2-12H,1H3
InChIKeyVASBEEMLTXXBRX-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.99
Rot. Bonds3

About 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine

3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine (PubChem CID 70949069) has the molecular formula C18H14FNO and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine
PubChem CID70949069
Molecular FormulaC18H14FNO
Molecular Weight279.31 g/mol
Exact Mass279.11
IUPAC Name3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine
SMILESCc1ccccc1-c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H14FNO/c1-13-5-2-3-7-18(13)14-9-15(19)11-17(10-14)21-16-6-4-8-20-12-16/h2-12H,1H3
InChIKeyVASBEEMLTXXBRX-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine?
The IUPAC name of 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine (CID 70949069) is 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine.
What is the SMILES notation for 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine?
The canonical SMILES for 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine is Cc1ccccc1-c1cc(F)cc(Oc2cccnc2)c1.
What is the InChIKey of 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine?
The InChIKey is VASBEEMLTXXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO/c1-13-5-2-3-7-18(13)14-9-15(19)11-17(10-14)21-16-6-4-8-20-12-16/h2-12H,1H3.
What are the key properties of 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine?
3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine has a molecular weight of 279.31 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2-methylphenyl)phenoxy]pyridine is sourced from PubChem (CID 70949069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).