2-pyridin-1-ium-2-ylpyridine;bromide;hydrate

C10H11BrN2O — CID 139059038

IUPAC2-pyridin-1-ium-2-ylpyridine;bromide;hydrate
SMILESO.[Br-].c1ccc(-c2cccc[nH+]2)nc1
InChIInChI=1S/C10H8N2.BrH.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;1H;1H2
InChIKeyMTMFYLHMEMPXQQ-UHFFFAOYSA-N
MW255.12 g/mol
LogP-2.26
Rot. Bonds1

About 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate

2-pyridin-1-ium-2-ylpyridine;bromide;hydrate (PubChem CID 139059038) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate.

Molecular Properties

Compound Name2-pyridin-1-ium-2-ylpyridine;bromide;hydrate
PubChem CID139059038
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Name2-pyridin-1-ium-2-ylpyridine;bromide;hydrate
SMILESO.[Br-].c1ccc(-c2cccc[nH+]2)nc1
InChIInChI=1S/C10H8N2.BrH.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;1H;1H2
InChIKeyMTMFYLHMEMPXQQ-UHFFFAOYSA-N
XLogP-2.26
TPSA58.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-pyridin-2-ylpyridine;trichloroiron
CID 13245641
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CID 162455294
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate?
The IUPAC name of 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate (CID 139059038) is 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate.
What is the SMILES notation for 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate?
The canonical SMILES for 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate is O.[Br-].c1ccc(-c2cccc[nH+]2)nc1.
What is the InChIKey of 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate?
The InChIKey is MTMFYLHMEMPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.BrH.H2O/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-8H;1H;1H2.
What are the key properties of 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate?
2-pyridin-1-ium-2-ylpyridine;bromide;hydrate has a molecular weight of 255.12 g/mol, XLogP of -2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-1-ium-2-ylpyridine;bromide;hydrate is sourced from PubChem (CID 139059038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).