2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride

C6H4Cl2N2O — CID 50988449

IUPAC2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCl.Clc1nc2ccncc2o1
InChIInChI=1S/C6H3ClN2O.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h1-3H;1H
InChIKeyAACKTPPTLAURIF-UHFFFAOYSA-N
MW191.02 g/mol
LogP2.30
Rot. Bonds

About 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride

2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride (PubChem CID 50988449) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride
PubChem CID50988449
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride
SMILESCl.Clc1nc2ccncc2o1
InChIInChI=1S/C6H3ClN2O.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h1-3H;1H
InChIKeyAACKTPPTLAURIF-UHFFFAOYSA-N
XLogP2.30
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride?
The IUPAC name of 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride (CID 50988449) is 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride is Cl.Clc1nc2ccncc2o1.
What is the InChIKey of 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride?
The InChIKey is AACKTPPTLAURIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O.ClH/c7-6-9-4-1-2-8-3-5(4)10-6;/h1-3H;1H.
What are the key properties of 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride?
2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride has a molecular weight of 191.02 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-[1,3]oxazolo[5,4-c]pyridine;hydrochloride is sourced from PubChem (CID 50988449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).