3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine

C19H14FNO3 — CID 138967026

IUPAC3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H14FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-10H,11-12H2
InChIKeyKLCJKHHWCOWJRA-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.20
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine

3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine (PubChem CID 138967026) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine
PubChem CID138967026
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2ccncc2COc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H14FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-10H,11-12H2
InChIKeyKLCJKHHWCOWJRA-UHFFFAOYSA-N
XLogP4.20
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 135184908
5-[(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)piperidin-4-yl]-2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 135185001
5-(2,2-Difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-[(2,6-difluorophenyl)methoxy]pyridine
CID 71105472
US11845730, Example 46
CID 165143964
(cis)-3-{3-[5-(3,4,5-Trimethoxy-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-pyridine
CID 44283802
3-{3-[(2R,5S)-5-(3,4,5-Trimethoxy-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-pyridine
CID 44284467
N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-N-(pyridin-3-ylmethyl)butan-2-amine
CID 46984773
2-(1,3-benzodioxol-5-yl)-N-[(4-ethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 1119875
(trans)-3-{3-[5-(3,4,5-Trimethoxy-phenyl)-tetrahydro-furan-2-yloxy]-propyl}-pyridine
CID 44283798
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxybenzyl)-N-(4-pyridinylmethyl)ethanamine
CID 1360347
2-[(2S)-5-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidin-1-yl]pyridine
CID 164680092
3-[[3-(1,3-Benzodioxol-5-yloxy)azetidin-1-yl]methyl]pyridine
CID 134787473

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine (CID 138967026) is 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine is Fc1ccc(-c2ccncc2COc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine?
The InChIKey is KLCJKHHWCOWJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-10H,11-12H2.
What are the key properties of 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine?
3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine has a molecular weight of 323.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)pyridine is sourced from PubChem (CID 138967026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).