3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine

C17H13FN2 — CID 46316767

IUPAC3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
SMILESCc1cc(-c2cccnc2)c(-c2cccnc2)cc1F
InChIInChI=1S/C17H13FN2/c1-12-8-15(13-4-2-6-19-10-13)16(9-17(12)18)14-5-3-7-20-11-14/h2-11H,1H3
InChIKeySTKHQDGTERDHHU-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.26
Rot. Bonds2

About 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine

3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine (PubChem CID 46316767) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine.

Molecular Properties

Compound Name3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
PubChem CID46316767
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine
SMILESCc1cc(-c2cccnc2)c(-c2cccnc2)cc1F
InChIInChI=1S/C17H13FN2/c1-12-8-15(13-4-2-6-19-10-13)16(9-17(12)18)14-5-3-7-20-11-14/h2-11H,1H3
InChIKeySTKHQDGTERDHHU-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine?
The IUPAC name of 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine (CID 46316767) is 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine.
What is the SMILES notation for 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine?
The canonical SMILES for 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine is Cc1cc(-c2cccnc2)c(-c2cccnc2)cc1F.
What is the InChIKey of 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine?
The InChIKey is STKHQDGTERDHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c1-12-8-15(13-4-2-6-19-10-13)16(9-17(12)18)14-5-3-7-20-11-14/h2-11H,1H3.
What are the key properties of 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine?
3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine has a molecular weight of 264.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-5-methyl-2-pyridin-3-ylphenyl)pyridine is sourced from PubChem (CID 46316767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).