5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine

C19H21F2NO2 — CID 18648621

IUPAC5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine
SMILESCCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)nc2)OC1
InChIInChI=1S/C19H21F2NO2/c1-2-3-4-13-11-23-19(24-12-13)15-6-8-18(22-10-15)14-5-7-16(20)17(21)9-14/h5-10,13,19H,2-4,11-12H2,1H3
InChIKeySHPQIMAXNWDJDQ-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.88
Rot. Bonds5

About 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine

5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine (PubChem CID 18648621) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine.

Molecular Properties

Compound Name5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine
PubChem CID18648621
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine
SMILESCCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)nc2)OC1
InChIInChI=1S/C19H21F2NO2/c1-2-3-4-13-11-23-19(24-12-13)15-6-8-18(22-10-15)14-5-7-16(20)17(21)9-14/h5-10,13,19H,2-4,11-12H2,1H3
InChIKeySHPQIMAXNWDJDQ-UHFFFAOYSA-N
XLogP4.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine?
The IUPAC name of 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine (CID 18648621) is 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine.
What is the SMILES notation for 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine?
The canonical SMILES for 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine is CCCCC1COC(c2ccc(-c3ccc(F)c(F)c3)nc2)OC1.
What is the InChIKey of 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine?
The InChIKey is SHPQIMAXNWDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-2-3-4-13-11-23-19(24-12-13)15-6-8-18(22-10-15)14-5-7-16(20)17(21)9-14/h5-10,13,19H,2-4,11-12H2,1H3.
What are the key properties of 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine?
5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine has a molecular weight of 333.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-1,3-dioxan-2-yl)-2-(3,4-difluorophenyl)pyridine is sourced from PubChem (CID 18648621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).