2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine

C26H21FN2O2 — CID 90710858

IUPAC2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine
SMILESFc1ccc(CC(c2ccccn2)c2ccccn2)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C26H21FN2O2/c27-20-9-7-18(21(17-20)19-8-10-25-26(16-19)31-14-13-30-25)15-22(23-5-1-3-11-28-23)24-6-2-4-12-29-24/h1-12,16-17,22H,13-15H2
InChIKeyMTXCJQUSHOEXKX-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.43
Rot. Bonds5

About 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine

2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine (PubChem CID 90710858) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine.

Molecular Properties

Compound Name2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine
PubChem CID90710858
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine
SMILESFc1ccc(CC(c2ccccn2)c2ccccn2)c(-c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C26H21FN2O2/c27-20-9-7-18(21(17-20)19-8-10-25-26(16-19)31-14-13-30-25)15-22(23-5-1-3-11-28-23)24-6-2-4-12-29-24/h1-12,16-17,22H,13-15H2
InChIKeyMTXCJQUSHOEXKX-UHFFFAOYSA-N
XLogP5.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-pyridin-2-ylethanol
CID 62195889
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-2-yl)methyl]ethanamine
CID 62789488
3-[2-[4-fluoro-2-(4-fluorophenyl)phenyl]-1-pyridin-3-ylethyl]pyridine
CID 67264973
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
CID 82089170
2-[5-(1,3-benzodioxol-5-yl)-3-(2,4-difluorophenyl)pyrazol-1-yl]pyridine
CID 142637114
3-(1,3-benzodioxol-5-yl)-2-pyridin-2-ylpropanenitrile
CID 121107553
1,1,1-trifluoro-N-[4-fluoro-2-[(3R,4S)-4-hydroxy-3-[(1R)-1-pyridin-2-ylethyl]-3,4-dihydro-2H-chromen-7-yl]phenyl]methanesulfonamide
CID 153294373
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-yl-2-pyridin-2-ylethanone
CID 162419646
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051021
N-(1,3-benzodioxol-5-yl)-1-pyridin-2-ylethane-1,2-diamine
CID 82132325
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
CID 172650769

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine?
The IUPAC name of 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine (CID 90710858) is 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine.
What is the SMILES notation for 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine?
The canonical SMILES for 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine is Fc1ccc(CC(c2ccccn2)c2ccccn2)c(-c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine?
The InChIKey is MTXCJQUSHOEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c27-20-9-7-18(21(17-20)19-8-10-25-26(16-19)31-14-13-30-25)15-22(23-5-1-3-11-28-23)24-6-2-4-12-29-24/h1-12,16-17,22H,13-15H2.
What are the key properties of 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine?
2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine has a molecular weight of 412.46 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorophenyl]-1-pyridin-2-ylethyl]pyridine is sourced from PubChem (CID 90710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).