5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine

C9H13F2NO — CID 166823900

IUPAC5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine
SMILESCOC1=CC(C(C)(F)F)=CN(C)C1
InChIInChI=1S/C9H13F2NO/c1-9(10,11)7-4-8(13-3)6-12(2)5-7/h4-5H,6H2,1-3H3
InChIKeyBWJKTOFEQPRRIQ-UHFFFAOYSA-N
MW189.20 g/mol
LogP2.00
Rot. Bonds2

About 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine

5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine (PubChem CID 166823900) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine
PubChem CID166823900
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine
SMILESCOC1=CC(C(C)(F)F)=CN(C)C1
InChIInChI=1S/C9H13F2NO/c1-9(10,11)7-4-8(13-3)6-12(2)5-7/h4-5H,6H2,1-3H3
InChIKeyBWJKTOFEQPRRIQ-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine?
The IUPAC name of 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine (CID 166823900) is 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine is COC1=CC(C(C)(F)F)=CN(C)C1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine?
The InChIKey is BWJKTOFEQPRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-9(10,11)7-4-8(13-3)6-12(2)5-7/h4-5H,6H2,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine?
5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine has a molecular weight of 189.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-methoxy-1-methyl-2H-pyridine is sourced from PubChem (CID 166823900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).