2-fluoro-3-methyl-5-pyridin-3-ylpyridine

C11H9FN2 — CID 46315737

IUPAC2-fluoro-3-methyl-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2cccnc2)cnc1F
InChIInChI=1S/C11H9FN2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9/h2-7H,1H3
InChIKeyJMAQURCLZBILHC-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.59
Rot. Bonds1

About 2-fluoro-3-methyl-5-pyridin-3-ylpyridine

2-fluoro-3-methyl-5-pyridin-3-ylpyridine (PubChem CID 46315737) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 2-fluoro-3-methyl-5-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-fluoro-3-methyl-5-pyridin-3-ylpyridine
PubChem CID46315737
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC Name2-fluoro-3-methyl-5-pyridin-3-ylpyridine
SMILESCc1cc(-c2cccnc2)cnc1F
InChIInChI=1S/C11H9FN2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9/h2-7H,1H3
InChIKeyJMAQURCLZBILHC-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-5-pyridin-3-ylpyridine?
The IUPAC name of 2-fluoro-3-methyl-5-pyridin-3-ylpyridine (CID 46315737) is 2-fluoro-3-methyl-5-pyridin-3-ylpyridine.
What is the SMILES notation for 2-fluoro-3-methyl-5-pyridin-3-ylpyridine?
The canonical SMILES for 2-fluoro-3-methyl-5-pyridin-3-ylpyridine is Cc1cc(-c2cccnc2)cnc1F.
What is the InChIKey of 2-fluoro-3-methyl-5-pyridin-3-ylpyridine?
The InChIKey is JMAQURCLZBILHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c1-8-5-10(7-14-11(8)12)9-3-2-4-13-6-9/h2-7H,1H3.
What are the key properties of 2-fluoro-3-methyl-5-pyridin-3-ylpyridine?
2-fluoro-3-methyl-5-pyridin-3-ylpyridine has a molecular weight of 188.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-5-pyridin-3-ylpyridine is sourced from PubChem (CID 46315737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).