3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine

C13H15N3 — CID 163261195

IUPAC3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine
SMILESC1=NC(c2cncc(C3CCC=N3)c2)CC1
InChIInChI=1S/C13H15N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5-9,12-13H,1-4H2
InChIKeyJUZHSSKWINNXJE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.89
Rot. Bonds2

About 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine

3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine (PubChem CID 163261195) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine
PubChem CID163261195
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine
SMILESC1=NC(c2cncc(C3CCC=N3)c2)CC1
InChIInChI=1S/C13H15N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5-9,12-13H,1-4H2
InChIKeyJUZHSSKWINNXJE-UHFFFAOYSA-N
XLogP2.89
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine?
The IUPAC name of 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine (CID 163261195) is 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine?
The canonical SMILES for 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine is C1=NC(c2cncc(C3CCC=N3)c2)CC1.
What is the InChIKey of 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine?
The InChIKey is JUZHSSKWINNXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-12(15-5-1)10-7-11(9-14-8-10)13-4-2-6-16-13/h5-9,12-13H,1-4H2.
What are the key properties of 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine?
3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3,4-dihydro-2H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 163261195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).