5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine

C15H12N2 — CID 89409031

IUPAC5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=C/c1cnc2[nH]ccc2c1)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-11H,(H,16,17)/b7-6+
InChIKeyLLZNDSSUCRKDRB-VOTSOKGWSA-N
MW220.28 g/mol
LogP3.73
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine

5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89409031) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID89409031
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=C/c1cnc2[nH]ccc2c1)\c1ccccc1
InChIInChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-11H,(H,16,17)/b7-6+
InChIKeyLLZNDSSUCRKDRB-VOTSOKGWSA-N
XLogP3.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
ethyl (E)-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 175662950
5-ethylsulfanyl-1H-pyrrolo[2,3-b]pyridine
CID 67227937
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
N-benzoyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 150987642
N-ethyl-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 22273641
2-hydroxy-N-phenyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
CID 90032953
(E)-3-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)prop-2-en-1-amine;hydrochloride
CID 175408468
potassium trifluoro(1H-pyrrolo[2,3-b]pyridin-5-yl)boranuide
CID 71763569

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine (CID 89409031) is 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine is C(=C/c1cnc2[nH]ccc2c1)\c1ccccc1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LLZNDSSUCRKDRB-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-12(5-3-1)6-7-13-10-14-8-9-16-15(14)17-11-13/h1-11H,(H,16,17)/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine?
5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 220.28 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89409031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).