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

C19H21ClFNO2 — CID 19812592

IUPAC5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine
SMILESCCCCC1COC(c2ccc(-c3ccc(Cl)c(F)c3)nc2)OC1
InChIInChI=1S/C19H21ClFNO2/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
InChIKeyHKPIQIVXSIJOSD-UHFFFAOYSA-N
MW349.83 g/mol
LogP5.39
Rot. Bonds5

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

5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine (PubChem CID 19812592) has the molecular formula C19H21ClFNO2 and a molecular weight of 349.83 g/mol. Its IUPAC name is 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine
PubChem CID19812592
Molecular FormulaC19H21ClFNO2
Molecular Weight349.83 g/mol
Exact Mass349.12
IUPAC Name5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine
SMILESCCCCC1COC(c2ccc(-c3ccc(Cl)c(F)c3)nc2)OC1
InChIInChI=1S/C19H21ClFNO2/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
InChIKeyHKPIQIVXSIJOSD-UHFFFAOYSA-N
XLogP5.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.83
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-decyl-3-fluorophenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821390
2-(3-fluoro-4-octylphenyl)-5-(5-octyl-1,3-dioxan-2-yl)pyridine
CID 19821346
2-(4-decoxyphenyl)-5-(5-nonyl-1,3-dioxan-2-yl)pyridine
CID 19821295
2-(4-fluorophenyl)-5-(5-pent-4-enyl-1,3-dioxan-2-yl)pyridine
CID 18648620
5-(5-decyl-1,3-dioxan-2-yl)-2-[4-(4-methylhexoxy)phenyl]pyridine
CID 19821255
2-(4-decoxyphenyl)-5-(5-undec-10-enyl-1,3-dioxan-2-yl)pyridine
CID 19821380
2-[4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]phenyl]-5-pentyl-1,3-dioxane
CID 118459119
5-[2-(5-dodecyl-1,3-dioxan-2-yl)ethyl]-2-(3-fluoro-4-octoxyphenyl)pyridine
CID 19821332
5-butyl-2-[4-(3,5-dichloro-4-isothiocyanatophenyl)phenyl]-1,3-dioxane
CID 170414499
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-fluorophenyl)-1,3-dioxane
CID 19738699
2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 54471568
1-[6-(4-chloro-3-fluorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 175646876

Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine?
The IUPAC name of 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine (CID 19812592) is 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine.
What is the SMILES notation for 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine?
The canonical SMILES for 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine is CCCCC1COC(c2ccc(-c3ccc(Cl)c(F)c3)nc2)OC1.
What is the InChIKey of 5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine?
The InChIKey is HKPIQIVXSIJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO2/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-(4-chloro-3-fluorophenyl)pyridine?
5-(5-butyl-1,3-dioxan-2-yl)-2-(4-chloro-3-fluorophenyl)pyridine has a molecular weight of 349.83 g/mol, XLogP of 5.39, 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-(4-chloro-3-fluorophenyl)pyridine is sourced from PubChem (CID 19812592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).