5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole

C15H11N3O2 — CID 53391624

IUPAC5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-5-6-15-14(8-13)12(10-17-15)4-3-11-2-1-7-16-9-11/h1-10,17H/b4-3+
InChIKeyIGQVCJNBWNPMGB-ONEGZZNKSA-N
MW265.27 g/mol
LogP3.64
Rot. Bonds3

About 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole

5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole (PubChem CID 53391624) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole.

Molecular Properties

Compound Name5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
PubChem CID53391624
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole
SMILESO=[N+]([O-])c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-5-6-15-14(8-13)12(10-17-15)4-3-11-2-1-7-16-9-11/h1-10,17H/b4-3+
InChIKeyIGQVCJNBWNPMGB-ONEGZZNKSA-N
XLogP3.64
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-nitro-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43340513
5-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
4-(2-pyridin-3-ylethenyl)-2H-isoquinolin-1-one
CID 69207247
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 53392945
6-fluoro-3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-indole
CID 53391939
3-[(E)-2-pyridin-3-ylethenyl]-1H-benzo[g]indole
CID 53392943
5-(3-nitrophenyl)-1H-indole-3-carbaldehyde
CID 23005016
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
CID 22285183
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
5-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-1H-indole
CID 6442835
5-[(E)-2-(3-nitrophenyl)ethenyl]-N-pyridin-3-ylpyrimidin-2-amine
CID 58901791

Frequently Asked Questions

What is the IUPAC name of 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole?
The IUPAC name of 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole (CID 53391624) is 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole.
What is the SMILES notation for 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole?
The canonical SMILES for 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole is O=[N+]([O-])c1ccc2[nH]cc(/C=C/c3cccnc3)c2c1.
What is the InChIKey of 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole?
The InChIKey is IGQVCJNBWNPMGB-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)13-5-6-15-14(8-13)12(10-17-15)4-3-11-2-1-7-16-9-11/h1-10,17H/b4-3+.
What are the key properties of 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole?
5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole has a molecular weight of 265.27 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-3-[(E)-2-pyridin-3-ylethenyl]-1H-indole is sourced from PubChem (CID 53391624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).