2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane

C23H35N3+2 — CID 158008103

IUPAC2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane
SMILESCC.CC.CC.C[n+]1ccc(-c2ccc(-c3cc[n+](C)cc3)nc2)cc1
InChIInChI=1S/C17H17N3.3C2H6/c1-19-9-5-14(6-10-19)16-3-4-17(18-13-16)15-7-11-20(2)12-8-15;3*1-2/h3-13H,1-2H3;3*1-2H3/q+2;;;
InChIKeyFENUAAMUQIBAQN-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.14
Rot. Bonds2

About 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane

2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane (PubChem CID 158008103) has the molecular formula C23H35N3+2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane.

Molecular Properties

Compound Name2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane
PubChem CID158008103
Molecular FormulaC23H35N3+2
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane
SMILESCC.CC.CC.C[n+]1ccc(-c2ccc(-c3cc[n+](C)cc3)nc2)cc1
InChIInChI=1S/C17H17N3.3C2H6/c1-19-9-5-14(6-10-19)16-3-4-17(18-13-16)15-7-11-20(2)12-8-15;3*1-2/h3-13H,1-2H3;3*1-2H3/q+2;;;
InChIKeyFENUAAMUQIBAQN-UHFFFAOYSA-N
XLogP5.14
TPSA20.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(4-ethylphenyl)pyridine
CID 101383412
4-(5-phenyl-2-pyridinyl)aniline
CID 129035533
N'-methoxy-4-[6-[4-[(E)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]benzenecarboximidamide
CID 11849847
1-methyl-4-pyridin-4-ylpyridin-1-ium;hydrochloride
CID 174834692
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
ethane;6-(4-methylphenyl)pyridin-3-amine
CID 145467469
2-methyl-5-[5-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrimidine
CID 118345257
5-[7-(4-iodophenyl)naphthalen-2-yl]-2-(4-methylphenyl)pyridine
CID 170290982
2,4-bis(4-tert-butylphenyl)-6-[4-[4-(5-phenyl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 67334150
6-[4-(5-amino-2-pyridinyl)phenyl]pyridin-3-amine
CID 25187082

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane?
The IUPAC name of 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane (CID 158008103) is 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane.
What is the SMILES notation for 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane?
The canonical SMILES for 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane is CC.CC.CC.C[n+]1ccc(-c2ccc(-c3cc[n+](C)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane?
The InChIKey is FENUAAMUQIBAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.3C2H6/c1-19-9-5-14(6-10-19)16-3-4-17(18-13-16)15-7-11-20(2)12-8-15;3*1-2/h3-13H,1-2H3;3*1-2H3/q+2;;;.
What are the key properties of 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane?
2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane has a molecular weight of 353.55 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(1-methylpyridin-1-ium-4-yl)pyridine;ethane is sourced from PubChem (CID 158008103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).