3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine

C12H13F2N3O2 — CID 121494558

IUPAC3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine
SMILESCOc1ccc(-c2cnn(C(F)F)c2C)c(OC)n1
InChIInChI=1S/C12H13F2N3O2/c1-7-9(6-15-17(7)12(13)14)8-4-5-10(18-2)16-11(8)19-3/h4-6,12H,1-3H3
InChIKeyGWFDUDJLIPQFBH-UHFFFAOYSA-N
MW269.25 g/mol
LogP2.67
Rot. Bonds4

About 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine

3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine (PubChem CID 121494558) has the molecular formula C12H13F2N3O2 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine.

Molecular Properties

Compound Name3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine
PubChem CID121494558
Molecular FormulaC12H13F2N3O2
Molecular Weight269.25 g/mol
Exact Mass269.10
IUPAC Name3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine
SMILESCOc1ccc(-c2cnn(C(F)F)c2C)c(OC)n1
InChIInChI=1S/C12H13F2N3O2/c1-7-9(6-15-17(7)12(13)14)8-4-5-10(18-2)16-11(8)19-3/h4-6,12H,1-3H3
InChIKeyGWFDUDJLIPQFBH-UHFFFAOYSA-N
XLogP2.67
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine?
The IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine (CID 121494558) is 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine.
What is the SMILES notation for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine?
The canonical SMILES for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine is COc1ccc(-c2cnn(C(F)F)c2C)c(OC)n1.
What is the InChIKey of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine?
The InChIKey is GWFDUDJLIPQFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O2/c1-7-9(6-15-17(7)12(13)14)8-4-5-10(18-2)16-11(8)19-3/h4-6,12H,1-3H3.
What are the key properties of 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine?
3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine has a molecular weight of 269.25 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)-5-methylpyrazol-4-yl]-2,6-dimethoxypyridine is sourced from PubChem (CID 121494558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).