1-(2,3-dihydropyridin-4-yl)-2H-pyridine

C10H12N2 — CID 129208885

IUPAC1-(2,3-dihydropyridin-4-yl)-2H-pyridine
SMILESC1=CCN(C2=CC=NCC2)C=C1
InChIInChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h1-4,6,8H,5,7,9H2
InChIKeyMDOHMNQMAMMLKD-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.73
Rot. Bonds1

About 1-(2,3-dihydropyridin-4-yl)-2H-pyridine

1-(2,3-dihydropyridin-4-yl)-2H-pyridine (PubChem CID 129208885) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-4-yl)-2H-pyridine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-4-yl)-2H-pyridine
PubChem CID129208885
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(2,3-dihydropyridin-4-yl)-2H-pyridine
SMILESC1=CCN(C2=CC=NCC2)C=C1
InChIInChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h1-4,6,8H,5,7,9H2
InChIKeyMDOHMNQMAMMLKD-UHFFFAOYSA-N
XLogP1.73
TPSA15.60 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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-4-yl)-2H-pyridine?
The IUPAC name of 1-(2,3-dihydropyridin-4-yl)-2H-pyridine (CID 129208885) is 1-(2,3-dihydropyridin-4-yl)-2H-pyridine.
What is the SMILES notation for 1-(2,3-dihydropyridin-4-yl)-2H-pyridine?
The canonical SMILES for 1-(2,3-dihydropyridin-4-yl)-2H-pyridine is C1=CCN(C2=CC=NCC2)C=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-4-yl)-2H-pyridine?
The InChIKey is MDOHMNQMAMMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h1-4,6,8H,5,7,9H2.
What are the key properties of 1-(2,3-dihydropyridin-4-yl)-2H-pyridine?
1-(2,3-dihydropyridin-4-yl)-2H-pyridine has a molecular weight of 160.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-4-yl)-2H-pyridine is sourced from PubChem (CID 129208885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).