ethane-1,2-diol;pyridine;hydrochloride

C7H12ClNO2 — CID 163484999

IUPACethane-1,2-diol;pyridine;hydrochloride
SMILESCl.OCCO.c1ccncc1
InChIInChI=1S/C5H5N.C2H6O2.ClH/c1-2-4-6-5-3-1;3-1-2-4;/h1-5H;3-4H,1-2H2;1H
InChIKeyCHVJBYUSRUBLHV-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.47
Rot. Bonds1

About ethane-1,2-diol;pyridine;hydrochloride

ethane-1,2-diol;pyridine;hydrochloride (PubChem CID 163484999) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is ethane-1,2-diol;pyridine;hydrochloride.

Molecular Properties

Compound Nameethane-1,2-diol;pyridine;hydrochloride
PubChem CID163484999
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Nameethane-1,2-diol;pyridine;hydrochloride
SMILESCl.OCCO.c1ccncc1
InChIInChI=1S/C5H5N.C2H6O2.ClH/c1-2-4-6-5-3-1;3-1-2-4;/h1-5H;3-4H,1-2H2;1H
InChIKeyCHVJBYUSRUBLHV-UHFFFAOYSA-N
XLogP0.47
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diol;bis(pyridine)
CID 69106853
bis(pyridine);hydrochloride
CID 68793121
bis(pyridine);hydrate;hydrochloride
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bis(pyridine);zinc;hydrochloride
CID 67732663
pyridine;zirconium;hydrochloride
CID 175285964
CID 173412563
CID 173412563
astatane;pyridine;hydrochloride
CID 174929298
neodymium;pyridine;trihydrochloride
CID 175284966
pyridine;hydrobromide;hydrochloride
CID 67599995
pyridine
CID 160878650
pyridine
CID 67755510
ethane;ethanol;pyridine
CID 90997450

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;pyridine;hydrochloride?
The IUPAC name of ethane-1,2-diol;pyridine;hydrochloride (CID 163484999) is ethane-1,2-diol;pyridine;hydrochloride.
What is the SMILES notation for ethane-1,2-diol;pyridine;hydrochloride?
The canonical SMILES for ethane-1,2-diol;pyridine;hydrochloride is Cl.OCCO.c1ccncc1.
What is the InChIKey of ethane-1,2-diol;pyridine;hydrochloride?
The InChIKey is CHVJBYUSRUBLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H6O2.ClH/c1-2-4-6-5-3-1;3-1-2-4;/h1-5H;3-4H,1-2H2;1H.
What are the key properties of ethane-1,2-diol;pyridine;hydrochloride?
ethane-1,2-diol;pyridine;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;pyridine;hydrochloride is sourced from PubChem (CID 163484999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).