3-imidazol-1-ylpyridine;dihydrochloride

C8H9Cl2N3 — CID 91642740

IUPAC3-imidazol-1-ylpyridine;dihydrochloride
SMILESCl.Cl.c1cncc(-n2ccnc2)c1
InChIInChI=1S/C8H7N3.2ClH/c1-2-8(6-9-3-1)11-5-4-10-7-11;;/h1-7H;2*1H
InChIKeyMNQVPKXFVPLOPQ-UHFFFAOYSA-N
MW218.09 g/mol
LogP2.11
Rot. Bonds1

About 3-imidazol-1-ylpyridine;dihydrochloride

3-imidazol-1-ylpyridine;dihydrochloride (PubChem CID 91642740) has the molecular formula C8H9Cl2N3 and a molecular weight of 218.09 g/mol. Its IUPAC name is 3-imidazol-1-ylpyridine;dihydrochloride.

Molecular Properties

Compound Name3-imidazol-1-ylpyridine;dihydrochloride
PubChem CID91642740
Molecular FormulaC8H9Cl2N3
Molecular Weight218.09 g/mol
Exact Mass217.02
IUPAC Name3-imidazol-1-ylpyridine;dihydrochloride
SMILESCl.Cl.c1cncc(-n2ccnc2)c1
InChIInChI=1S/C8H7N3.2ClH/c1-2-8(6-9-3-1)11-5-4-10-7-11;;/h1-7H;2*1H
InChIKeyMNQVPKXFVPLOPQ-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.09
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpyridine;dihydrochloride?
The IUPAC name of 3-imidazol-1-ylpyridine;dihydrochloride (CID 91642740) is 3-imidazol-1-ylpyridine;dihydrochloride.
What is the SMILES notation for 3-imidazol-1-ylpyridine;dihydrochloride?
The canonical SMILES for 3-imidazol-1-ylpyridine;dihydrochloride is Cl.Cl.c1cncc(-n2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-ylpyridine;dihydrochloride?
The InChIKey is MNQVPKXFVPLOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.2ClH/c1-2-8(6-9-3-1)11-5-4-10-7-11;;/h1-7H;2*1H.
What are the key properties of 3-imidazol-1-ylpyridine;dihydrochloride?
3-imidazol-1-ylpyridine;dihydrochloride has a molecular weight of 218.09 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpyridine;dihydrochloride is sourced from PubChem (CID 91642740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).