3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine

C13H12N2 — CID 173224206

IUPAC3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine
SMILESC/C=C/c1cncc(-c2ccccn2)c1
InChIInChI=1S/C13H12N2/c1-2-5-11-8-12(10-14-9-11)13-6-3-4-7-15-13/h2-10H,1H3/b5-2+
InChIKeyZQJOBIJWTJLPNA-GORDUTHDSA-N
MW196.25 g/mol
LogP3.18
Rot. Bonds2

About 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine

3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine (PubChem CID 173224206) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine
PubChem CID173224206
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine
SMILESC/C=C/c1cncc(-c2ccccn2)c1
InChIInChI=1S/C13H12N2/c1-2-5-11-8-12(10-14-9-11)13-6-3-4-7-15-13/h2-10H,1H3/b5-2+
InChIKeyZQJOBIJWTJLPNA-GORDUTHDSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-(5-pyridin-2-yl-3-pyridinyl)prop-2-enal
CID 22735171
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
2,4,6-tris(5-pyridin-2-yl-3-pyridinyl)pyrimidine
CID 58090461
3-prop-2-enyl-5-pyridin-2-ylpyridine
CID 91804933
hydron;3-(2-methylpropyl)-5-pyridin-2-ylpyridine
CID 174909931
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2-[5-(4-methylphenyl)-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 118204402
2-[5-methyl-2-[(Z)-prop-1-enyl]phenyl]pyridine
CID 90050951
3,5-dipyridin-2-ylpyridazine
CID 19065735
2-pyridin-4-ylpyridine;dihydrochloride
CID 173206035
(2E,4E)-hexa-2,4-dienoic acid;2-phenylpyridine
CID 175021923

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine?
The IUPAC name of 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine (CID 173224206) is 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine?
The canonical SMILES for 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine is C/C=C/c1cncc(-c2ccccn2)c1.
What is the InChIKey of 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine?
The InChIKey is ZQJOBIJWTJLPNA-GORDUTHDSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-5-11-8-12(10-14-9-11)13-6-3-4-7-15-13/h2-10H,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine?
3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine has a molecular weight of 196.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-5-pyridin-2-ylpyridine is sourced from PubChem (CID 173224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).