2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole

C21H15FN2 — CID 134853516

IUPAC2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole
SMILESF/C(=C\c1ccccc1)c1cc2ccccc2n1-c1ccccn1
InChIInChI=1S/C21H15FN2/c22-18(14-16-8-2-1-3-9-16)20-15-17-10-4-5-11-19(17)24(20)21-12-6-7-13-23-21/h1-15H/b18-14-
InChIKeyUPTNAZWXUZBHTG-JXAWBTAJSA-N
MW314.36 g/mol
LogP5.49
Rot. Bonds3

About 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole

2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole (PubChem CID 134853516) has the molecular formula C21H15FN2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole.

Molecular Properties

Compound Name2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole
PubChem CID134853516
Molecular FormulaC21H15FN2
Molecular Weight314.36 g/mol
Exact Mass314.12
IUPAC Name2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole
SMILESF/C(=C\c1ccccc1)c1cc2ccccc2n1-c1ccccn1
InChIInChI=1S/C21H15FN2/c22-18(14-16-8-2-1-3-9-16)20-15-17-10-4-5-11-19(17)24(20)21-12-6-7-13-23-21/h1-15H/b18-14-
InChIKeyUPTNAZWXUZBHTG-JXAWBTAJSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole?
The IUPAC name of 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole (CID 134853516) is 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole.
What is the SMILES notation for 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole?
The canonical SMILES for 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole is F/C(=C\c1ccccc1)c1cc2ccccc2n1-c1ccccn1.
What is the InChIKey of 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole?
The InChIKey is UPTNAZWXUZBHTG-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H15FN2/c22-18(14-16-8-2-1-3-9-16)20-15-17-10-4-5-11-19(17)24(20)21-12-6-7-13-23-21/h1-15H/b18-14-.
What are the key properties of 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole?
2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole has a molecular weight of 314.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-fluoro-2-phenylethenyl]-1-pyridin-2-ylindole is sourced from PubChem (CID 134853516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).