5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine

C12H9F2NO — CID 50961650

IUPAC5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccc(F)cn2)c1F
InChIInChI=1S/C12H9F2NO/c1-16-11-4-2-3-9(12(11)14)10-6-5-8(13)7-15-10/h2-7H,1H3
InChIKeyHYAPQSFHQSIACW-UHFFFAOYSA-N
MW221.21 g/mol
LogP3.04
Rot. Bonds2

About 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine

5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine (PubChem CID 50961650) has the molecular formula C12H9F2NO and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
PubChem CID50961650
Molecular FormulaC12H9F2NO
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccc(F)cn2)c1F
InChIInChI=1S/C12H9F2NO/c1-16-11-4-2-3-9(12(11)14)10-6-5-8(13)7-15-10/h2-7H,1H3
InChIKeyHYAPQSFHQSIACW-UHFFFAOYSA-N
XLogP3.04
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine?
The IUPAC name of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine (CID 50961650) is 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine.
What is the SMILES notation for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine?
The canonical SMILES for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine is COc1cccc(-c2ccc(F)cn2)c1F.
What is the InChIKey of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine?
The InChIKey is HYAPQSFHQSIACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO/c1-16-11-4-2-3-9(12(11)14)10-6-5-8(13)7-15-10/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine?
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine has a molecular weight of 221.21 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine is sourced from PubChem (CID 50961650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).