5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole

C21H14F2N2 — CID 167536397

IUPAC5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole
SMILESFc1cc(F)cc(-c2ccc3c(c2)C(/C=C/c2ccccn2)=NC3)c1
InChIInChI=1S/C21H14F2N2/c22-17-9-16(10-18(23)12-17)14-4-5-15-13-25-21(20(15)11-14)7-6-19-3-1-2-8-24-19/h1-12H,13H2/b7-6+
InChIKeyVTTMPQTZXDRXDJ-VOTSOKGWSA-N
MW332.35 g/mol
LogP5.04
Rot. Bonds3

About 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole

5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole (PubChem CID 167536397) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole
PubChem CID167536397
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole
SMILESFc1cc(F)cc(-c2ccc3c(c2)C(/C=C/c2ccccn2)=NC3)c1
InChIInChI=1S/C21H14F2N2/c22-17-9-16(10-18(23)12-17)14-4-5-15-13-25-21(20(15)11-14)7-6-19-3-1-2-8-24-19/h1-12H,13H2/b7-6+
InChIKeyVTTMPQTZXDRXDJ-VOTSOKGWSA-N
XLogP5.04
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindol-5-amine
CID 167675093
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
1-(4-methylpiperazin-1-yl)-3-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]propan-2-one
CID 163568360
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
2-[(E)-2-pyridin-2-ylethenyl]-4,5-dihydro-1,3-thiazole
CID 6529972
2-hydroxy-4-methyl-N-[4-methyl-5-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindol-5-yl]-1,3-thiazol-2-yl]pentanamide
CID 163993996
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159
2-[2-(4-phenylphenyl)ethenyl]pyridine
CID 66775790
cyclobutane;2-[2-(2-fluorophenyl)ethenyl]pyridine
CID 175276966
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
ethane;3-[(E)-prop-1-enyl]-1H-isoindole
CID 157348217
2-[(E)-2-pyridin-2-ylethenyl]-5,6-dihydro-4H-1,3-thiazine
CID 121223462

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole?
The IUPAC name of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole (CID 167536397) is 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole?
The canonical SMILES for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole is Fc1cc(F)cc(-c2ccc3c(c2)C(/C=C/c2ccccn2)=NC3)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole?
The InChIKey is VTTMPQTZXDRXDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H14F2N2/c22-17-9-16(10-18(23)12-17)14-4-5-15-13-25-21(20(15)11-14)7-6-19-3-1-2-8-24-19/h1-12H,13H2/b7-6+.
What are the key properties of 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole?
5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole has a molecular weight of 332.35 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-3-[(E)-2-pyridin-2-ylethenyl]-1H-isoindole is sourced from PubChem (CID 167536397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).