5-(2-fluorophenyl)-2-methoxy-3-methylpyridine

C13H12FNO — CID 46312944

IUPAC5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(-c2ccccc2F)cc1C
InChIInChI=1S/C13H12FNO/c1-9-7-10(8-15-13(9)16-2)11-5-3-4-6-12(11)14/h3-8H,1-2H3
InChIKeyDXRPKDGKNAVSJA-UHFFFAOYSA-N
MW217.24 g/mol
LogP3.20
Rot. Bonds2

About 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine

5-(2-fluorophenyl)-2-methoxy-3-methylpyridine (PubChem CID 46312944) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
PubChem CID46312944
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name5-(2-fluorophenyl)-2-methoxy-3-methylpyridine
SMILESCOc1ncc(-c2ccccc2F)cc1C
InChIInChI=1S/C13H12FNO/c1-9-7-10(8-15-13(9)16-2)11-5-3-4-6-12(11)14/h3-8H,1-2H3
InChIKeyDXRPKDGKNAVSJA-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine?
The IUPAC name of 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine (CID 46312944) is 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine.
What is the SMILES notation for 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine?
The canonical SMILES for 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine is COc1ncc(-c2ccccc2F)cc1C.
What is the InChIKey of 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine?
The InChIKey is DXRPKDGKNAVSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c1-9-7-10(8-15-13(9)16-2)11-5-3-4-6-12(11)14/h3-8H,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine?
5-(2-fluorophenyl)-2-methoxy-3-methylpyridine has a molecular weight of 217.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-methoxy-3-methylpyridine is sourced from PubChem (CID 46312944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).