4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine

C10H12N2 — CID 18931883

IUPAC4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCNC=C2)=CCN1
InChIInChI=1S/C10H12N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-5,7,11-12H,6,8H2
InChIKeyJIYGMFJKCYWXLA-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.07
Rot. Bonds1

About 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine

4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine (PubChem CID 18931883) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine
PubChem CID18931883
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCNC=C2)=CCN1
InChIInChI=1S/C10H12N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-5,7,11-12H,6,8H2
InChIKeyJIYGMFJKCYWXLA-UHFFFAOYSA-N
XLogP1.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine?
The IUPAC name of 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine (CID 18931883) is 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine is C1=CC(C2=CCNC=C2)=CCN1.
What is the InChIKey of 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine?
The InChIKey is JIYGMFJKCYWXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-5,7,11-12H,6,8H2.
What are the key properties of 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine?
4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine has a molecular weight of 160.22 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 18931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).