(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline

C15H13N3 — CID 175349484

IUPAC(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline
SMILESC1=Nc2ccccc2N/C1=C/Cc1cccnc1
InChIInChI=1S/C15H13N3/c1-2-6-15-14(5-1)17-11-13(18-15)8-7-12-4-3-9-16-10-12/h1-6,8-11,18H,7H2/b13-8+
InChIKeyLSAHEKTWBXOKAI-MDWZMJQESA-N
MW235.29 g/mol
LogP3.34
Rot. Bonds2

About (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline

(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline (PubChem CID 175349484) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline.

Molecular Properties

Compound Name(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline
PubChem CID175349484
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline
SMILESC1=Nc2ccccc2N/C1=C/Cc1cccnc1
InChIInChI=1S/C15H13N3/c1-2-6-15-14(5-1)17-11-13(18-15)8-7-12-4-3-9-16-10-12/h1-6,8-11,18H,7H2/b13-8+
InChIKeyLSAHEKTWBXOKAI-MDWZMJQESA-N
XLogP3.34
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-quinoxalin-2-ylidene)acetonitrile
CID 131855235
3-pyridin-3-ylprop-1-en-1-ol;hydrochloride
CID 67682923
3-[(E)-3-phenylprop-2-enyl]pyridine
CID 13437688
bis(pyridin-3-ylmethyl)azanium
CID 6946562
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(benzylsulfanylmethyl)pyridine
CID 3025143
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-ethylpyridine
CID 10823
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
dimethyl-pyridin-3-yl-(pyridin-3-ylmethyl)silane
CID 117059217
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62876131
3-benzylpyridine;formic acid
CID 174503454

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline?
The IUPAC name of (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline (CID 175349484) is (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline.
What is the SMILES notation for (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline?
The canonical SMILES for (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline is C1=Nc2ccccc2N/C1=C/Cc1cccnc1.
What is the InChIKey of (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline?
The InChIKey is LSAHEKTWBXOKAI-MDWZMJQESA-N. The full InChI is InChI=1S/C15H13N3/c1-2-6-15-14(5-1)17-11-13(18-15)8-7-12-4-3-9-16-10-12/h1-6,8-11,18H,7H2/b13-8+.
What are the key properties of (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline?
(2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline has a molecular weight of 235.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-pyridin-3-ylethylidene)-1H-quinoxaline is sourced from PubChem (CID 175349484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).