2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol

C7H10ClN3O — CID 88634659

IUPAC2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
SMILESNc1ccc(C(N)CO)nc1Cl
InChIInChI=1S/C7H10ClN3O/c8-7-4(9)1-2-6(11-7)5(10)3-12/h1-2,5,12H,3,9-10H2
InChIKeyVYWBKYYKBAZNIW-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.31
Rot. Bonds2

About 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol

2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol (PubChem CID 88634659) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
PubChem CID88634659
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol
SMILESNc1ccc(C(N)CO)nc1Cl
InChIInChI=1S/C7H10ClN3O/c8-7-4(9)1-2-6(11-7)5(10)3-12/h1-2,5,12H,3,9-10H2
InChIKeyVYWBKYYKBAZNIW-UHFFFAOYSA-N
XLogP0.31
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.31
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-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol?
The IUPAC name of 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol (CID 88634659) is 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol.
What is the SMILES notation for 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol?
The canonical SMILES for 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol is Nc1ccc(C(N)CO)nc1Cl.
What is the InChIKey of 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol?
The InChIKey is VYWBKYYKBAZNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-7-4(9)1-2-6(11-7)5(10)3-12/h1-2,5,12H,3,9-10H2.
What are the key properties of 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol?
2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol has a molecular weight of 187.63 g/mol, XLogP of 0.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-amino-6-chloro-2-pyridinyl)ethanol is sourced from PubChem (CID 88634659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).