2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol

C7H10ClN3O — CID 173318806

IUPAC2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol
SMILESNc1ccc(NCCO)c(Cl)n1
InChIInChI=1S/C7H10ClN3O/c8-7-5(10-3-4-12)1-2-6(9)11-7/h1-2,10,12H,3-4H2,(H2,9,11)
InChIKeyZNRBXFKHWRNPAM-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.72
Rot. Bonds3

About 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol

2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol (PubChem CID 173318806) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol
PubChem CID173318806
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol
SMILESNc1ccc(NCCO)c(Cl)n1
InChIInChI=1S/C7H10ClN3O/c8-7-5(10-3-4-12)1-2-6(9)11-7/h1-2,10,12H,3-4H2,(H2,9,11)
InChIKeyZNRBXFKHWRNPAM-UHFFFAOYSA-N
XLogP0.72
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol (CID 173318806) is 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol is Nc1ccc(NCCO)c(Cl)n1.
What is the InChIKey of 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol?
The InChIKey is ZNRBXFKHWRNPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-7-5(10-3-4-12)1-2-6(9)11-7/h1-2,10,12H,3-4H2,(H2,9,11).
What are the key properties of 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol?
2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol has a molecular weight of 187.63 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-chloro-3-pyridinyl)amino]ethanol is sourced from PubChem (CID 173318806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).