2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine

C7H5Cl2F2NO — CID 172621334

IUPAC2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine
SMILESCc1cc(Cl)nc(Cl)c1OC(F)F
InChIInChI=1S/C7H5Cl2F2NO/c1-3-2-4(8)12-6(9)5(3)13-7(10)11/h2,7H,1H3
InChIKeyGUQUHGDVSAPNQR-UHFFFAOYSA-N
MW228.03 g/mol
LogP3.30
Rot. Bonds2

About 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine

2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine (PubChem CID 172621334) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.03 g/mol. Its IUPAC name is 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine
PubChem CID172621334
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.03 g/mol
Exact Mass226.97
IUPAC Name2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine
SMILESCc1cc(Cl)nc(Cl)c1OC(F)F
InChIInChI=1S/C7H5Cl2F2NO/c1-3-2-4(8)12-6(9)5(3)13-7(10)11/h2,7H,1H3
InChIKeyGUQUHGDVSAPNQR-UHFFFAOYSA-N
XLogP3.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine?
The IUPAC name of 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine (CID 172621334) is 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine.
What is the SMILES notation for 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine?
The canonical SMILES for 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine is Cc1cc(Cl)nc(Cl)c1OC(F)F.
What is the InChIKey of 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine?
The InChIKey is GUQUHGDVSAPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c1-3-2-4(8)12-6(9)5(3)13-7(10)11/h2,7H,1H3.
What are the key properties of 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine?
2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine has a molecular weight of 228.03 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(difluoromethoxy)-4-methylpyridine is sourced from PubChem (CID 172621334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).