3-[(Z)-2-pyridin-3-ylethenyl]aniline

C13H12N2 — CID 101109294

IUPAC3-[(Z)-2-pyridin-3-ylethenyl]aniline
SMILESNc1cccc(/C=C\c2cccnc2)c1
InChIInChI=1S/C13H12N2/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H,14H2/b7-6-
InChIKeyFXIBBMDSWRYWNG-SREVYHEPSA-N
MW196.25 g/mol
LogP2.83
Rot. Bonds2

About 3-[(Z)-2-pyridin-3-ylethenyl]aniline

3-[(Z)-2-pyridin-3-ylethenyl]aniline (PubChem CID 101109294) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(Z)-2-pyridin-3-ylethenyl]aniline.

Molecular Properties

Compound Name3-[(Z)-2-pyridin-3-ylethenyl]aniline
PubChem CID101109294
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-[(Z)-2-pyridin-3-ylethenyl]aniline
SMILESNc1cccc(/C=C\c2cccnc2)c1
InChIInChI=1S/C13H12N2/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H,14H2/b7-6-
InChIKeyFXIBBMDSWRYWNG-SREVYHEPSA-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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Related Compounds

3-[(E)-2-[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]ethenyl]aniline
CID 54756481
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
3-[(E)-2-(3-bromophenyl)ethenyl]pyridine
CID 69086206
3-[(Z)-2-pyridin-3-ylethenyl]phenol
CID 70505429
3-[(E)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340149
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
(E)-3-(3-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]prop-2-enamide
CID 115344800
[5-[2-(3-aminophenyl)ethenyl]-3-pyridinyl]carbamic acid
CID 66881105
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-pyridin-3-ylethenyl]aniline?
The IUPAC name of 3-[(Z)-2-pyridin-3-ylethenyl]aniline (CID 101109294) is 3-[(Z)-2-pyridin-3-ylethenyl]aniline.
What is the SMILES notation for 3-[(Z)-2-pyridin-3-ylethenyl]aniline?
The canonical SMILES for 3-[(Z)-2-pyridin-3-ylethenyl]aniline is Nc1cccc(/C=C\c2cccnc2)c1.
What is the InChIKey of 3-[(Z)-2-pyridin-3-ylethenyl]aniline?
The InChIKey is FXIBBMDSWRYWNG-SREVYHEPSA-N. The full InChI is InChI=1S/C13H12N2/c14-13-5-1-3-11(9-13)6-7-12-4-2-8-15-10-12/h1-10H,14H2/b7-6-.
What are the key properties of 3-[(Z)-2-pyridin-3-ylethenyl]aniline?
3-[(Z)-2-pyridin-3-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-[(Z)-2-pyridin-3-ylethenyl]aniline is sourced from PubChem (CID 101109294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).