2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine

C10H12N2 — CID 90896499

IUPAC2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CC(C2C=CCC=N2)N=CC1
InChIInChI=1S/C10H12N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-2,5-10H,3-4H2
InChIKeyNHIFDSOHMCGAKJ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.78
Rot. Bonds1

About 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine

2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine (PubChem CID 90896499) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine
PubChem CID90896499
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CC(C2C=CCC=N2)N=CC1
InChIInChI=1S/C10H12N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-2,5-10H,3-4H2
InChIKeyNHIFDSOHMCGAKJ-UHFFFAOYSA-N
XLogP1.78
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,7-Diazaspiro[5.5]undeca-1,4,7,10-tetraene
CID 90730550
4a,8a-Dihydroquinoxaline
CID 21025825
(4aS,8aS)-6-methyl-4a,8a-dihydroquinoxaline
CID 57156092
4a,5,8,8a-Tetrahydroquinoxaline
CID 58901459
2-(2H-pyrrol-2-yl)-2H-pyrrole
CID 58928042
6-Methyl-4a,8a-dihydroquinoxaline
CID 59199659
2-Methyl-2,5-dihydropyridine
CID 68099548
2-Methyl-4a,8a-dihydro-1,5-naphthyridine
CID 89093828
2-Methyl-4a,8a-dihydroquinoxaline
CID 89172182
(4aS)-4a,8a-dihydroquinoxaline
CID 90886282
3,8a-Dihydro-1,5-naphthyridine
CID 91252353
2,4a,7,8-Tetrahydro-1,5-naphthyridine
CID 91263735

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine?
The IUPAC name of 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine (CID 90896499) is 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine is C1=CC(C2C=CCC=N2)N=CC1.
What is the InChIKey of 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine?
The InChIKey is NHIFDSOHMCGAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-2,5-10H,3-4H2.
What are the key properties of 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine?
2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine has a molecular weight of 160.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyridin-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 90896499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).