2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine

C14H12F3NO2 — CID 175241217

IUPAC2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine
SMILESCOC(OC)c1cc(-c2ccc(F)c(F)c2)ncc1F
InChIInChI=1S/C14H12F3NO2/c1-19-14(20-2)9-6-13(18-7-12(9)17)8-3-4-10(15)11(16)5-8/h3-7,14H,1-2H3
InChIKeyJGQWIBBRETYLDQ-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.46
Rot. Bonds4

About 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine

2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine (PubChem CID 175241217) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine
PubChem CID175241217
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine
SMILESCOC(OC)c1cc(-c2ccc(F)c(F)c2)ncc1F
InChIInChI=1S/C14H12F3NO2/c1-19-14(20-2)9-6-13(18-7-12(9)17)8-3-4-10(15)11(16)5-8/h3-7,14H,1-2H3
InChIKeyJGQWIBBRETYLDQ-UHFFFAOYSA-N
XLogP3.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine (CID 175241217) is 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine is COC(OC)c1cc(-c2ccc(F)c(F)c2)ncc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine?
The InChIKey is JGQWIBBRETYLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-19-14(20-2)9-6-13(18-7-12(9)17)8-3-4-10(15)11(16)5-8/h3-7,14H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine?
2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine has a molecular weight of 283.25 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-(dimethoxymethyl)-5-fluoropyridine is sourced from PubChem (CID 175241217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).