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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Related Compounds

(Z)-6-[4-Pyridin-3-yl-2-(4-trifluoromethyl-phenyl)-[1,3]dioxan-5-yl]-hex-4-enoic acid
CID 44374452
(Z)-6-{2-[2-(4-Fluoro-phenyl)-1,1-dimethyl-ethyl]-4-pyridin-3-yl-[1,3]dioxan-5-yl}-hex-4-enoic acid
CID 44374545
(Z)-6-[2-(1,1-Dimethyl-2-phenyl-ethyl)-4-pyridin-3-yl-[1,3]dioxan-5-yl]-hex-4-enoic acid
CID 44374560
2-(2-(Phenylmethoxy)ethyl)pyridine
CID 95767
Pyridine, 3-(((2'-fluoro(1,1'-biphenyl)-4-yl)methoxy)methyl)-, hydrochloride
CID 3066120
1-Benzyl-3-(8-methyl-3-oxa-bicyclo[3.3.1]non-7-en-2-yl)-pyridinium
CID 2832853
1-Methyl-3-(7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-en-3-yl)pyridinium iodide
CID 2872135
4-[5-(1,3-Dioxan-2-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 135293563
(cis)-3-{3-[5-(4-Fluoro-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-pyridine
CID 44284128
(trans)-3-[3-(5-Phenyl-tetrahydro-furan-2-yloxy)-propyl]-pyridine
CID 44283890
2-[[4-[(4-Fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
CID 19807296
(1S)-1-methoxy-8-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine
CID 162844675

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).