1-(2,5-dihydropyridin-4-yl)-4H-pyridine

C10H12N2 — CID 91443502

IUPAC1-(2,5-dihydropyridin-4-yl)-4H-pyridine
SMILESC1=CN(C2=CCN=CC2)C=CC1
InChIInChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h2-4,7-9H,1,5-6H2
InChIKeyGBICYRKBRZUNGM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.08
Rot. Bonds1

About 1-(2,5-dihydropyridin-4-yl)-4H-pyridine

1-(2,5-dihydropyridin-4-yl)-4H-pyridine (PubChem CID 91443502) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(2,5-dihydropyridin-4-yl)-4H-pyridine.

Molecular Properties

Compound Name1-(2,5-dihydropyridin-4-yl)-4H-pyridine
PubChem CID91443502
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(2,5-dihydropyridin-4-yl)-4H-pyridine
SMILESC1=CN(C2=CCN=CC2)C=CC1
InChIInChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h2-4,7-9H,1,5-6H2
InChIKeyGBICYRKBRZUNGM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8H-pyrido[1,2-a]pyrazine
CID 13337709
9Ah-pyrido[1,2-a]pyrazine
CID 45087529
N,N-dimethyl-2,5-dihydropyridin-4-amine
CID 57063053
2H-indolizin-4-ium
CID 57830632
9H-pyrazino[1,2-a]quinoxaline
CID 91192144
3-(3,4-Dihydropyridin-1-ium-1-yl)-2,3-dihydropyridine
CID 123513583
6-Ethyl-1-methyl-3,4-dihydropyridin-1-ium
CID 123867063
1-(2,3-dihydropyridin-4-yl)-2H-pyridine
CID 129208885
ethane;8H-pyrido[1,2-a]pyrazine
CID 145606046
4-methyl-9aH-pyrido[1,2-a]pyrazine
CID 154953951
(2Z)-1-ethenyl-5-methyl-2-propylidenepyrazine
CID 168257956
2,3-Dihydroquinolizin-5-ium
CID 172358353

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyridin-4-yl)-4H-pyridine?
The IUPAC name of 1-(2,5-dihydropyridin-4-yl)-4H-pyridine (CID 91443502) is 1-(2,5-dihydropyridin-4-yl)-4H-pyridine.
What is the SMILES notation for 1-(2,5-dihydropyridin-4-yl)-4H-pyridine?
The canonical SMILES for 1-(2,5-dihydropyridin-4-yl)-4H-pyridine is C1=CN(C2=CCN=CC2)C=CC1.
What is the InChIKey of 1-(2,5-dihydropyridin-4-yl)-4H-pyridine?
The InChIKey is GBICYRKBRZUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h2-4,7-9H,1,5-6H2.
What are the key properties of 1-(2,5-dihydropyridin-4-yl)-4H-pyridine?
1-(2,5-dihydropyridin-4-yl)-4H-pyridine has a molecular weight of 160.22 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyridin-4-yl)-4H-pyridine is sourced from PubChem (CID 91443502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).