4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium

C13H10ClNO — CID 703607

IUPAC4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
SMILES[O-][n+]1ccc(C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10H
InChIKeyYAWLXRCZTIGJGI-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.14
Rot. Bonds2

About 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium

4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium (PubChem CID 703607) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
PubChem CID703607
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium
SMILES[O-][n+]1ccc(C=Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10H
InChIKeyYAWLXRCZTIGJGI-UHFFFAOYSA-N
XLogP3.14
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
1-chloro-4-[6-(4-chlorophenyl)hexa-1,5-dienyl]benzene
CID 141391243
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
CID 6434075
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
(E)-3-(1-oxidopyridin-1-ium-4-yl)prop-2-enoic acid
CID 55255240
2,5-bis[(E)-2-(4-chlorophenyl)ethenyl]thiophene
CID 12503708
(Z)-3-(4-chlorophenyl)prop-2-en-1-amine
CID 58952108
1-chloro-4-[1-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]ethyl]benzene
CID 122203276
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
1-oxido-4-[(E)-2-(4-undecoxyphenyl)ethenyl]pyridin-1-ium
CID 100920114

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium?
The IUPAC name of 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium (CID 703607) is 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium is [O-][n+]1ccc(C=Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium?
The InChIKey is YAWLXRCZTIGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-13-5-3-11(4-6-13)1-2-12-7-9-15(16)10-8-12/h1-10H.
What are the key properties of 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium?
4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium has a molecular weight of 231.68 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethenyl]-1-oxidopyridin-1-ium is sourced from PubChem (CID 703607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).