3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine

C10H12N2 — CID 88987664

IUPAC3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
SMILESC1=CC(C2=CN=CCC2)CN=C1
InChIInChI=1S/C10H12N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1,3,5-6,8-9H,2,4,7H2
InChIKeySBODCZZRIWOPDW-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.99
Rot. Bonds1

About 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine

3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine (PubChem CID 88987664) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
PubChem CID88987664
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine
SMILESC1=CC(C2=CN=CCC2)CN=C1
InChIInChI=1S/C10H12N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1,3,5-6,8-9H,2,4,7H2
InChIKeySBODCZZRIWOPDW-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2',3,3',4',5'-Hexa-hydro-3,4'-bipyridine
CID 129759174
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920
2-(3,4-Dihydropyridin-5-yl)-2,3-dihydropyridine
CID 88987663
2-(2,3,4,5-Tetrahydropyridin-5-yl)-2,3-dihydropyridine
CID 90878548
4-(2,3,4,5-Tetrahydropyridin-3-yl)-2,5-dihydropyridine
CID 91198171
3,4,6,8a-Tetrahydroisoquinoline
CID 91461835
1,4,6,8a-Tetrahydroisoquinoline
CID 91591645
4,4a,5,8-Tetrahydroisoquinoline
CID 123322759
1,4,8,8a-Tetrahydro-2,7-naphthyridine
CID 123912397
3-(Cyclohexen-1-yl)-2,3-dihydropyridine
CID 132124088
(2E)-N-ethenyl-2-ethylidene-4-propan-2-ylpyridin-3-imine
CID 163250334
1,5,6,8a-Tetrahydroisoquinoline
CID 163614673

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The IUPAC name of 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine (CID 88987664) is 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine.
What is the SMILES notation for 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The canonical SMILES for 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine is C1=CC(C2=CN=CCC2)CN=C1.
What is the InChIKey of 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
The InChIKey is SBODCZZRIWOPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1,3,5-6,8-9H,2,4,7H2.
What are the key properties of 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine?
3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine has a molecular weight of 160.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydropyridin-5-yl)-2,3-dihydropyridine is sourced from PubChem (CID 88987664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).