2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine

C11H9Cl2F2N3O2 — CID 11573363

IUPAC2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine
SMILESCOc1ccc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)n1
InChIInChI=1S/C11H9Cl2F2N3O2/c1-18-10(20-11(14)15)7(12)8(17-18)5-3-4-6(19-2)16-9(5)13/h3-4,11H,1-2H3
InChIKeyBCJWXWDKDIQUJW-UHFFFAOYSA-N
MW324.11 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine

2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine (PubChem CID 11573363) has the molecular formula C11H9Cl2F2N3O2 and a molecular weight of 324.11 g/mol. Its IUPAC name is 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine.

Molecular Properties

Compound Name2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine
PubChem CID11573363
Molecular FormulaC11H9Cl2F2N3O2
Molecular Weight324.11 g/mol
Exact Mass323.00
IUPAC Name2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine
SMILESCOc1ccc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)n1
InChIInChI=1S/C11H9Cl2F2N3O2/c1-18-10(20-11(14)15)7(12)8(17-18)5-3-4-6(19-2)16-9(5)13/h3-4,11H,1-2H3
InChIKeyBCJWXWDKDIQUJW-UHFFFAOYSA-N
XLogP3.40
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine?
The IUPAC name of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine (CID 11573363) is 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine.
What is the SMILES notation for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine?
The canonical SMILES for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine is COc1ccc(-c2nn(C)c(OC(F)F)c2Cl)c(Cl)n1.
What is the InChIKey of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine?
The InChIKey is BCJWXWDKDIQUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F2N3O2/c1-18-10(20-11(14)15)7(12)8(17-18)5-3-4-6(19-2)16-9(5)13/h3-4,11H,1-2H3.
What are the key properties of 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine?
2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine has a molecular weight of 324.11 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-6-methoxypyridine is sourced from PubChem (CID 11573363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).