3-[(E)-2-pyridin-4-ylethenyl]aniline

C13H12N2 — CID 847916

IUPAC3-[(E)-2-pyridin-4-ylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H12N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-10H,14H2/b5-4+
InChIKeyPUIXZBUXAZDNAP-SNAWJCMRSA-N
MW196.25 g/mol
LogP2.83
Rot. Bonds2

About 3-[(E)-2-pyridin-4-ylethenyl]aniline

3-[(E)-2-pyridin-4-ylethenyl]aniline (PubChem CID 847916) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-4-ylethenyl]aniline.

Molecular Properties

Compound Name3-[(E)-2-pyridin-4-ylethenyl]aniline
PubChem CID847916
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-[(E)-2-pyridin-4-ylethenyl]aniline
SMILESNc1cccc(/C=C/c2ccncc2)c1
InChIInChI=1S/C13H12N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-10H,14H2/b5-4+
InChIKeyPUIXZBUXAZDNAP-SNAWJCMRSA-N
XLogP2.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]aniline?
The IUPAC name of 3-[(E)-2-pyridin-4-ylethenyl]aniline (CID 847916) is 3-[(E)-2-pyridin-4-ylethenyl]aniline.
What is the SMILES notation for 3-[(E)-2-pyridin-4-ylethenyl]aniline?
The canonical SMILES for 3-[(E)-2-pyridin-4-ylethenyl]aniline is Nc1cccc(/C=C/c2ccncc2)c1.
What is the InChIKey of 3-[(E)-2-pyridin-4-ylethenyl]aniline?
The InChIKey is PUIXZBUXAZDNAP-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H12N2/c14-13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11/h1-10H,14H2/b5-4+.
What are the key properties of 3-[(E)-2-pyridin-4-ylethenyl]aniline?
3-[(E)-2-pyridin-4-ylethenyl]aniline has a molecular weight of 196.25 g/mol, XLogP of 2.83, 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-4-ylethenyl]aniline is sourced from PubChem (CID 847916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).