6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride

C8H11ClN2O2 — CID 86737674

IUPAC6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride
SMILESCC(Cc1ccc(O)cn1)=NO.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-6(10-12)4-7-2-3-8(11)5-9-7;/h2-3,5,11-12H,4H2,1H3;1H
InChIKeyIGNXJNJWIAICMY-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.60
Rot. Bonds2

About 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride

6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride (PubChem CID 86737674) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride
PubChem CID86737674
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride
SMILESCC(Cc1ccc(O)cn1)=NO.Cl
InChIInChI=1S/C8H10N2O2.ClH/c1-6(10-12)4-7-2-3-8(11)5-9-7;/h2-3,5,11-12H,4H2,1H3;1H
InChIKeyIGNXJNJWIAICMY-UHFFFAOYSA-N
XLogP1.60
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride?
The IUPAC name of 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride (CID 86737674) is 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride.
What is the SMILES notation for 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride?
The canonical SMILES for 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride is CC(Cc1ccc(O)cn1)=NO.Cl.
What is the InChIKey of 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride?
The InChIKey is IGNXJNJWIAICMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-6(10-12)4-7-2-3-8(11)5-9-7;/h2-3,5,11-12H,4H2,1H3;1H.
What are the key properties of 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride?
6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyiminopropyl)pyridin-3-ol;hydrochloride is sourced from PubChem (CID 86737674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).