2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine

C9H10ClF2NO — CID 170640947

IUPAC2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine
SMILESCOCC(F)(F)c1cc(C)cc(Cl)n1
InChIInChI=1S/C9H10ClF2NO/c1-6-3-7(13-8(10)4-6)9(11,12)5-14-2/h3-4H,5H2,1-2H3
InChIKeyIUYPJSZBIAFCHK-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.78
Rot. Bonds3

About 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine

2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine (PubChem CID 170640947) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine.

Molecular Properties

Compound Name2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine
PubChem CID170640947
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine
SMILESCOCC(F)(F)c1cc(C)cc(Cl)n1
InChIInChI=1S/C9H10ClF2NO/c1-6-3-7(13-8(10)4-6)9(11,12)5-14-2/h3-4H,5H2,1-2H3
InChIKeyIUYPJSZBIAFCHK-UHFFFAOYSA-N
XLogP2.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.78
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-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine?
The IUPAC name of 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine (CID 170640947) is 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine.
What is the SMILES notation for 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine?
The canonical SMILES for 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine is COCC(F)(F)c1cc(C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine?
The InChIKey is IUYPJSZBIAFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-6-3-7(13-8(10)4-6)9(11,12)5-14-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine?
2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine has a molecular weight of 221.63 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,1-difluoro-2-methoxyethyl)-4-methylpyridine is sourced from PubChem (CID 170640947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).