3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine

C7H10FNO — CID 122692047

IUPAC3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
SMILESCOC1NC=C(C)C=C1F
InChIInChI=1S/C7H10FNO/c1-5-3-6(8)7(10-2)9-4-5/h3-4,7,9H,1-2H3
InChIKeyXCIUMYIQOTYYTB-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.32
Rot. Bonds1

About 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine

3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine (PubChem CID 122692047) has the molecular formula C7H10FNO and a molecular weight of 143.16 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
PubChem CID122692047
Molecular FormulaC7H10FNO
Molecular Weight143.16 g/mol
Exact Mass143.07
IUPAC Name3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine
SMILESCOC1NC=C(C)C=C1F
InChIInChI=1S/C7H10FNO/c1-5-3-6(8)7(10-2)9-4-5/h3-4,7,9H,1-2H3
InChIKeyXCIUMYIQOTYYTB-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine?
The IUPAC name of 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine (CID 122692047) is 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine.
What is the SMILES notation for 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine?
The canonical SMILES for 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine is COC1NC=C(C)C=C1F.
What is the InChIKey of 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine?
The InChIKey is XCIUMYIQOTYYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNO/c1-5-3-6(8)7(10-2)9-4-5/h3-4,7,9H,1-2H3.
What are the key properties of 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine?
3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine has a molecular weight of 143.16 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-5-methyl-1,2-dihydropyridine is sourced from PubChem (CID 122692047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).