bis(pyridine);hydrate;hydrochloride

C10H13ClN2O — CID 173340794

IUPACbis(pyridine);hydrate;hydrochloride
SMILESCl.O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.ClH.H2O/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;1H2
InChIKeyXBAGZUABEWNOMF-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.76
Rot. Bonds

About bis(pyridine);hydrate;hydrochloride

bis(pyridine);hydrate;hydrochloride (PubChem CID 173340794) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is bis(pyridine);hydrate;hydrochloride.

Molecular Properties

Compound Namebis(pyridine);hydrate;hydrochloride
PubChem CID173340794
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Namebis(pyridine);hydrate;hydrochloride
SMILESCl.O.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.ClH.H2O/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;1H2
InChIKeyXBAGZUABEWNOMF-UHFFFAOYSA-N
XLogP1.76
TPSA57.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(pyridine);hydrate;hydrochloride?
The IUPAC name of bis(pyridine);hydrate;hydrochloride (CID 173340794) is bis(pyridine);hydrate;hydrochloride.
What is the SMILES notation for bis(pyridine);hydrate;hydrochloride?
The canonical SMILES for bis(pyridine);hydrate;hydrochloride is Cl.O.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(pyridine);hydrate;hydrochloride?
The InChIKey is XBAGZUABEWNOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.ClH.H2O/c2*1-2-4-6-5-3-1;;/h2*1-5H;1H;1H2.
What are the key properties of bis(pyridine);hydrate;hydrochloride?
bis(pyridine);hydrate;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridine);hydrate;hydrochloride is sourced from PubChem (CID 173340794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).