1H-imidazol-1-ium;pyridin-1-ium

C8H11N3+2 — CID 18331995

IUPAC1H-imidazol-1-ium;pyridin-1-ium
SMILESC1=C[NH2+]C=N1.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C3H4N2/c1-2-4-6-5-3-1;1-2-5-3-4-1/h1-5H;1-3H,(H,4,5)/p+2
InChIKeySBPIDKODQVLBGV-UHFFFAOYSA-P
MW149.20 g/mol
LogP-0.44
Rot. Bonds

About 1H-imidazol-1-ium;pyridin-1-ium

1H-imidazol-1-ium;pyridin-1-ium (PubChem CID 18331995) has the molecular formula C8H11N3+2 and a molecular weight of 149.20 g/mol. Its IUPAC name is 1H-imidazol-1-ium;pyridin-1-ium.

Molecular Properties

Compound Name1H-imidazol-1-ium;pyridin-1-ium
PubChem CID18331995
Molecular FormulaC8H11N3+2
Molecular Weight149.20 g/mol
Exact Mass149.09
IUPAC Name1H-imidazol-1-ium;pyridin-1-ium
SMILESC1=C[NH2+]C=N1.c1cc[nH+]cc1
InChIInChI=1S/C5H5N.C3H4N2/c1-2-4-6-5-3-1;1-2-5-3-4-1/h1-5H;1-3H,(H,4,5)/p+2
InChIKeySBPIDKODQVLBGV-UHFFFAOYSA-P
XLogP-0.44
TPSA43.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-1-ium;pyridin-1-ium?
The IUPAC name of 1H-imidazol-1-ium;pyridin-1-ium (CID 18331995) is 1H-imidazol-1-ium;pyridin-1-ium.
What is the SMILES notation for 1H-imidazol-1-ium;pyridin-1-ium?
The canonical SMILES for 1H-imidazol-1-ium;pyridin-1-ium is C1=C[NH2+]C=N1.c1cc[nH+]cc1.
What is the InChIKey of 1H-imidazol-1-ium;pyridin-1-ium?
The InChIKey is SBPIDKODQVLBGV-UHFFFAOYSA-P. The full InChI is InChI=1S/C5H5N.C3H4N2/c1-2-4-6-5-3-1;1-2-5-3-4-1/h1-5H;1-3H,(H,4,5)/p+2.
What are the key properties of 1H-imidazol-1-ium;pyridin-1-ium?
1H-imidazol-1-ium;pyridin-1-ium has a molecular weight of 149.20 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-1-ium;pyridin-1-ium is sourced from PubChem (CID 18331995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).