3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine

C13H16FN3O — CID 136571993

IUPAC3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine
SMILESCOc1nccc(-c2cn(C)nc2C(C)C)c1F
InChIInChI=1S/C13H16FN3O/c1-8(2)12-10(7-17(3)16-12)9-5-6-15-13(18-4)11(9)14/h5-8H,1-4H3
InChIKeyKTGSKYYBVPJTCI-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.75
Rot. Bonds3

About 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine

3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine (PubChem CID 136571993) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine
PubChem CID136571993
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine
SMILESCOc1nccc(-c2cn(C)nc2C(C)C)c1F
InChIInChI=1S/C13H16FN3O/c1-8(2)12-10(7-17(3)16-12)9-5-6-15-13(18-4)11(9)14/h5-8H,1-4H3
InChIKeyKTGSKYYBVPJTCI-UHFFFAOYSA-N
XLogP2.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine?
The IUPAC name of 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine (CID 136571993) is 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine?
The canonical SMILES for 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine is COc1nccc(-c2cn(C)nc2C(C)C)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine?
The InChIKey is KTGSKYYBVPJTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(2)12-10(7-17(3)16-12)9-5-6-15-13(18-4)11(9)14/h5-8H,1-4H3.
What are the key properties of 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine?
3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine has a molecular weight of 249.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-4-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 136571993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).