4-amino-6-chloropyridin-3-ol

C5H5ClN2O — CID 45079903

IUPAC4-amino-6-chloropyridin-3-ol
SMILESNc1cc(Cl)ncc1O
InChIInChI=1S/C5H5ClN2O/c6-5-1-3(7)4(9)2-8-5/h1-2,9H,(H2,7,8)
InChIKeyZUYLSPMIGQJBGC-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.02
Rot. Bonds

About 4-amino-6-chloropyridin-3-ol

4-amino-6-chloropyridin-3-ol (PubChem CID 45079903) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-amino-6-chloropyridin-3-ol.

Molecular Properties

Compound Name4-amino-6-chloropyridin-3-ol
PubChem CID45079903
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name4-amino-6-chloropyridin-3-ol
SMILESNc1cc(Cl)ncc1O
InChIInChI=1S/C5H5ClN2O/c6-5-1-3(7)4(9)2-8-5/h1-2,9H,(H2,7,8)
InChIKeyZUYLSPMIGQJBGC-UHFFFAOYSA-N
XLogP1.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.02
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 4-amino-6-chloropyridin-3-ol?
The IUPAC name of 4-amino-6-chloropyridin-3-ol (CID 45079903) is 4-amino-6-chloropyridin-3-ol.
What is the SMILES notation for 4-amino-6-chloropyridin-3-ol?
The canonical SMILES for 4-amino-6-chloropyridin-3-ol is Nc1cc(Cl)ncc1O.
What is the InChIKey of 4-amino-6-chloropyridin-3-ol?
The InChIKey is ZUYLSPMIGQJBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-5-1-3(7)4(9)2-8-5/h1-2,9H,(H2,7,8).
What are the key properties of 4-amino-6-chloropyridin-3-ol?
4-amino-6-chloropyridin-3-ol has a molecular weight of 144.56 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloropyridin-3-ol is sourced from PubChem (CID 45079903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).