3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine

C11H10ClF2N3O2 — CID 11565509

IUPAC3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
SMILESCOc1ncccc1-c1nn(C)c(OC(F)F)c1Cl
InChIInChI=1S/C11H10ClF2N3O2/c1-17-10(19-11(13)14)7(12)8(16-17)6-4-3-5-15-9(6)18-2/h3-5,11H,1-2H3
InChIKeyVHJAQENBKOHLKC-UHFFFAOYSA-N
MW289.67 g/mol
LogP2.75
Rot. Bonds4

About 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine

3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine (PubChem CID 11565509) has the molecular formula C11H10ClF2N3O2 and a molecular weight of 289.67 g/mol. Its IUPAC name is 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
PubChem CID11565509
Molecular FormulaC11H10ClF2N3O2
Molecular Weight289.67 g/mol
Exact Mass289.04
IUPAC Name3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
SMILESCOc1ncccc1-c1nn(C)c(OC(F)F)c1Cl
InChIInChI=1S/C11H10ClF2N3O2/c1-17-10(19-11(13)14)7(12)8(16-17)6-4-3-5-15-9(6)18-2/h3-5,11H,1-2H3
InChIKeyVHJAQENBKOHLKC-UHFFFAOYSA-N
XLogP2.75
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine?
The IUPAC name of 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine (CID 11565509) is 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine.
What is the SMILES notation for 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine?
The canonical SMILES for 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine is COc1ncccc1-c1nn(C)c(OC(F)F)c1Cl.
What is the InChIKey of 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine?
The InChIKey is VHJAQENBKOHLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O2/c1-17-10(19-11(13)14)7(12)8(16-17)6-4-3-5-15-9(6)18-2/h3-5,11H,1-2H3.
What are the key properties of 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine?
3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine has a molecular weight of 289.67 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine is sourced from PubChem (CID 11565509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).