3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine

C13H9ClN2O2 — CID 22285183

IUPAC3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1cc(/C=C/c2cccnc2)ccc1Cl
InChIInChI=1S/C13H9ClN2O2/c14-12-6-5-10(8-13(12)16(17)18)3-4-11-2-1-7-15-9-11/h1-9H/b4-3+
InChIKeyRUWXRTGKCUQARZ-ONEGZZNKSA-N
MW260.68 g/mol
LogP3.81
Rot. Bonds3

About 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine

3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine (PubChem CID 22285183) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
PubChem CID22285183
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine
SMILESO=[N+]([O-])c1cc(/C=C/c2cccnc2)ccc1Cl
InChIInChI=1S/C13H9ClN2O2/c14-12-6-5-10(8-13(12)16(17)18)3-4-11-2-1-7-15-9-11/h1-9H/b4-3+
InChIKeyRUWXRTGKCUQARZ-ONEGZZNKSA-N
XLogP3.81
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.81
H-Bond Donors ≤ 50
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

1-chloro-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-nitrobenzene
CID 125465323
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CID 5416780
3-(4-chloro-3-nitrophenyl)prop-2-en-1-ol
CID 79334896
(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18170822
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
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-nitro-2-(2-pyridin-3-ylethenyl)pyridine
CID 91941399
(E)-6-(4-chloro-3-nitrophenyl)hex-5-ene-2,4-dione
CID 21416767
ethyl 4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]-(pyridin-3-ylmethyl)amino]benzoate
CID 23096104
methyl 4-nitro-5-(2-pyridin-3-ylethenyl)thiophene-2-carboxylate
CID 75312460
N-(2-nitrophenyl)-1-pyridin-3-ylmethanimine
CID 19173128

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine (CID 22285183) is 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine is O=[N+]([O-])c1cc(/C=C/c2cccnc2)ccc1Cl.
What is the InChIKey of 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine?
The InChIKey is RUWXRTGKCUQARZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-12-6-5-10(8-13(12)16(17)18)3-4-11-2-1-7-15-9-11/h1-9H/b4-3+.
What are the key properties of 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine?
3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine has a molecular weight of 260.68 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chloro-3-nitrophenyl)ethenyl]pyridine is sourced from PubChem (CID 22285183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).