2-(5-amino-2-chloro-4-pyridinyl)ethanol

C7H9ClN2O — CID 88537888

IUPAC2-(5-amino-2-chloro-4-pyridinyl)ethanol
SMILESNc1cnc(Cl)cc1CCO
InChIInChI=1S/C7H9ClN2O/c8-7-3-5(1-2-11)6(9)4-10-7/h3-4,11H,1-2,9H2
InChIKeyGNJNEGWWWJLYDR-UHFFFAOYSA-N
MW172.62 g/mol
LogP0.85
Rot. Bonds2

About 2-(5-amino-2-chloro-4-pyridinyl)ethanol

2-(5-amino-2-chloro-4-pyridinyl)ethanol (PubChem CID 88537888) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-(5-amino-2-chloro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-amino-2-chloro-4-pyridinyl)ethanol
PubChem CID88537888
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-(5-amino-2-chloro-4-pyridinyl)ethanol
SMILESNc1cnc(Cl)cc1CCO
InChIInChI=1S/C7H9ClN2O/c8-7-3-5(1-2-11)6(9)4-10-7/h3-4,11H,1-2,9H2
InChIKeyGNJNEGWWWJLYDR-UHFFFAOYSA-N
XLogP0.85
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-amino-2-chloro-4-pyridinyl)ethanol?
The IUPAC name of 2-(5-amino-2-chloro-4-pyridinyl)ethanol (CID 88537888) is 2-(5-amino-2-chloro-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-amino-2-chloro-4-pyridinyl)ethanol?
The canonical SMILES for 2-(5-amino-2-chloro-4-pyridinyl)ethanol is Nc1cnc(Cl)cc1CCO.
What is the InChIKey of 2-(5-amino-2-chloro-4-pyridinyl)ethanol?
The InChIKey is GNJNEGWWWJLYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-7-3-5(1-2-11)6(9)4-10-7/h3-4,11H,1-2,9H2.
What are the key properties of 2-(5-amino-2-chloro-4-pyridinyl)ethanol?
2-(5-amino-2-chloro-4-pyridinyl)ethanol has a molecular weight of 172.62 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chloro-4-pyridinyl)ethanol is sourced from PubChem (CID 88537888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).