6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine

C8H9ClFNO2 — CID 118420542

IUPAC6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine
SMILESCOCOc1c(C)cc(Cl)nc1F
InChIInChI=1S/C8H9ClFNO2/c1-5-3-6(9)11-8(10)7(5)13-4-12-2/h3H,4H2,1-2H3
InChIKeyFKUOAERHINHGFA-UHFFFAOYSA-N
MW205.62 g/mol
LogP2.17
Rot. Bonds3

About 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine

6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine (PubChem CID 118420542) has the molecular formula C8H9ClFNO2 and a molecular weight of 205.62 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine
PubChem CID118420542
Molecular FormulaC8H9ClFNO2
Molecular Weight205.62 g/mol
Exact Mass205.03
IUPAC Name6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine
SMILESCOCOc1c(C)cc(Cl)nc1F
InChIInChI=1S/C8H9ClFNO2/c1-5-3-6(9)11-8(10)7(5)13-4-12-2/h3H,4H2,1-2H3
InChIKeyFKUOAERHINHGFA-UHFFFAOYSA-N
XLogP2.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine?
The IUPAC name of 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine (CID 118420542) is 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine is COCOc1c(C)cc(Cl)nc1F.
What is the InChIKey of 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine?
The InChIKey is FKUOAERHINHGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2/c1-5-3-6(9)11-8(10)7(5)13-4-12-2/h3H,4H2,1-2H3.
What are the key properties of 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine?
6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine has a molecular weight of 205.62 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(methoxymethoxy)-4-methylpyridine is sourced from PubChem (CID 118420542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).