3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine

C14H11N3 — CID 53392945

IUPAC3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=C/c1c[nH]c2ncccc12)\c1cccnc1
InChIInChI=1S/C14H11N3/c1-3-11(9-15-7-1)5-6-12-10-17-14-13(12)4-2-8-16-14/h1-10H,(H,16,17)/b6-5+
InChIKeyLKEMLXRYKJZZDA-AATRIKPKSA-N
MW221.26 g/mol
LogP3.13
Rot. Bonds2

About 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine

3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 53392945) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID53392945
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESC(=C/c1c[nH]c2ncccc12)\c1cccnc1
InChIInChI=1S/C14H11N3/c1-3-11(9-15-7-1)5-6-12-10-17-14-13(12)4-2-8-16-14/h1-10H,(H,16,17)/b6-5+
InChIKeyLKEMLXRYKJZZDA-AATRIKPKSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one
CID 69207247
4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile
CID 76663347
3-[(E)-2-pyridin-3-ylethenyl]-1H-benzo[g]indole
CID 53392943
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-pyridin-3-yl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enenitrile
CID 75306329
5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
CID 53391624
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
CID 169461874
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-[2-(1H-pyrazol-4-yl)ethenyl]pyridine
CID 141207818
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine (CID 53392945) is 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine is C(=C/c1c[nH]c2ncccc12)\c1cccnc1.
What is the InChIKey of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LKEMLXRYKJZZDA-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11N3/c1-3-11(9-15-7-1)5-6-12-10-17-14-13(12)4-2-8-16-14/h1-10H,(H,16,17)/b6-5+.
What are the key properties of 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 221.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53392945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).