2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol

C9H9ClN4O — CID 59526244

IUPAC2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2cccc(Cl)n2)nn1
InChIInChI=1S/C9H9ClN4O/c10-8-2-1-3-9(11-8)14-6-7(4-5-15)12-13-14/h1-3,6,15H,4-5H2
InChIKeyUHAUSLMQRDQSRP-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.85
Rot. Bonds3

About 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol

2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol (PubChem CID 59526244) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
PubChem CID59526244
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol
SMILESOCCc1cn(-c2cccc(Cl)n2)nn1
InChIInChI=1S/C9H9ClN4O/c10-8-2-1-3-9(11-8)14-6-7(4-5-15)12-13-14/h1-3,6,15H,4-5H2
InChIKeyUHAUSLMQRDQSRP-UHFFFAOYSA-N
XLogP0.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol (CID 59526244) is 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol is OCCc1cn(-c2cccc(Cl)n2)nn1.
What is the InChIKey of 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol?
The InChIKey is UHAUSLMQRDQSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-8-2-1-3-9(11-8)14-6-7(4-5-15)12-13-14/h1-3,6,15H,4-5H2.
What are the key properties of 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol?
2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol has a molecular weight of 224.65 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-pyridinyl)triazol-4-yl]ethanol is sourced from PubChem (CID 59526244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).