3-(2-fluorophenyl)-4-methylpyridine

C12H10FN — CID 46313062

IUPAC3-(2-fluorophenyl)-4-methylpyridine
SMILESCc1ccncc1-c1ccccc1F
InChIInChI=1S/C12H10FN/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,1H3
InChIKeyKGLQPXXXYXRSQK-UHFFFAOYSA-N
MW187.22 g/mol
LogP3.20
Rot. Bonds1

About 3-(2-fluorophenyl)-4-methylpyridine

3-(2-fluorophenyl)-4-methylpyridine (PubChem CID 46313062) has the molecular formula C12H10FN and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methylpyridine
PubChem CID46313062
Molecular FormulaC12H10FN
Molecular Weight187.22 g/mol
Exact Mass187.08
IUPAC Name3-(2-fluorophenyl)-4-methylpyridine
SMILESCc1ccncc1-c1ccccc1F
InChIInChI=1S/C12H10FN/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,1H3
InChIKeyKGLQPXXXYXRSQK-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methylpyridine?
The IUPAC name of 3-(2-fluorophenyl)-4-methylpyridine (CID 46313062) is 3-(2-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 3-(2-fluorophenyl)-4-methylpyridine is Cc1ccncc1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methylpyridine?
The InChIKey is KGLQPXXXYXRSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN/c1-9-6-7-14-8-11(9)10-4-2-3-5-12(10)13/h2-8H,1H3.
What are the key properties of 3-(2-fluorophenyl)-4-methylpyridine?
3-(2-fluorophenyl)-4-methylpyridine has a molecular weight of 187.22 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 46313062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).