2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole

C22H15F2N3 — CID 122630227

IUPAC2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole
SMILESFc1cnccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1F
InChIInChI=1S/C22H15F2N3/c23-19-13-25-11-9-15(19)5-7-18-17-3-1-2-4-21(17)27-22(18)8-6-16-10-12-26-14-20(16)24/h1-14,27H/b7-5+,8-6+
InChIKeyHDHCEXSTAMIJKZ-KQQUZDAGSA-N
MW359.38 g/mol
LogP5.58
Rot. Bonds4

About 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole

2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole (PubChem CID 122630227) has the molecular formula C22H15F2N3 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole
PubChem CID122630227
Molecular FormulaC22H15F2N3
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Name2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole
SMILESFc1cnccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1F
InChIInChI=1S/C22H15F2N3/c23-19-13-25-11-9-15(19)5-7-18-17-3-1-2-4-21(17)27-22(18)8-6-16-10-12-26-14-20(16)24/h1-14,27H/b7-5+,8-6+
InChIKeyHDHCEXSTAMIJKZ-KQQUZDAGSA-N
XLogP5.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole (CID 122630227) is 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole is Fc1cnccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccncc1F.
What is the InChIKey of 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole?
The InChIKey is HDHCEXSTAMIJKZ-KQQUZDAGSA-N. The full InChI is InChI=1S/C22H15F2N3/c23-19-13-25-11-9-15(19)5-7-18-17-3-1-2-4-21(17)27-22(18)8-6-16-10-12-26-14-20(16)24/h1-14,27H/b7-5+,8-6+.
What are the key properties of 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole?
2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole has a molecular weight of 359.38 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(3-fluoro-4-pyridinyl)ethenyl]-1H-indole is sourced from PubChem (CID 122630227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).