1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine

C14H15F2NO — CID 150690778

IUPAC1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine
SMILESCOC1=CC(C)=CN(c2ccc(F)cc2F)C1C
InChIInChI=1S/C14H15F2NO/c1-9-6-14(18-3)10(2)17(8-9)13-5-4-11(15)7-12(13)16/h4-8,10H,1-3H3
InChIKeyZEVHPMYKOOBBMJ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.61
Rot. Bonds2

About 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine

1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine (PubChem CID 150690778) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine
PubChem CID150690778
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine
SMILESCOC1=CC(C)=CN(c2ccc(F)cc2F)C1C
InChIInChI=1S/C14H15F2NO/c1-9-6-14(18-3)10(2)17(8-9)13-5-4-11(15)7-12(13)16/h4-8,10H,1-3H3
InChIKeyZEVHPMYKOOBBMJ-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine (CID 150690778) is 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine is COC1=CC(C)=CN(c2ccc(F)cc2F)C1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine?
The InChIKey is ZEVHPMYKOOBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-9-6-14(18-3)10(2)17(8-9)13-5-4-11(15)7-12(13)16/h4-8,10H,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine?
1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine has a molecular weight of 251.28 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methoxy-2,5-dimethyl-2H-pyridine is sourced from PubChem (CID 150690778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).