2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine

C15H10F2N2 — CID 166360118

IUPAC2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccc(/C=C/c2cc3ccncc3[nH]2)cc1F
InChIInChI=1S/C15H10F2N2/c16-13-4-2-10(7-14(13)17)1-3-12-8-11-5-6-18-9-15(11)19-12/h1-9,19H/b3-1+
InChIKeySWAPPKUUOUCYIU-HNQUOIGGSA-N
MW256.26 g/mol
LogP4.01
Rot. Bonds2

About 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine

2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 166360118) has the molecular formula C15H10F2N2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID166360118
Molecular FormulaC15H10F2N2
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine
SMILESFc1ccc(/C=C/c2cc3ccncc3[nH]2)cc1F
InChIInChI=1S/C15H10F2N2/c16-13-4-2-10(7-14(13)17)1-3-12-8-11-5-6-18-9-15(11)19-12/h1-9,19H/b3-1+
InChIKeySWAPPKUUOUCYIU-HNQUOIGGSA-N
XLogP4.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine (CID 166360118) is 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine is Fc1ccc(/C=C/c2cc3ccncc3[nH]2)cc1F.
What is the InChIKey of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is SWAPPKUUOUCYIU-HNQUOIGGSA-N. The full InChI is InChI=1S/C15H10F2N2/c16-13-4-2-10(7-14(13)17)1-3-12-8-11-5-6-18-9-15(11)19-12/h1-9,19H/b3-1+.
What are the key properties of 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine?
2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 256.26 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,4-difluorophenyl)ethenyl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 166360118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).