2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine

C6H6Cl2N2O2 — CID 123350601

IUPAC2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1N(O)O
InChIInChI=1S/C6H6Cl2N2O2/c1-3-2-4(7)9-6(8)5(3)10(11)12/h2,11-12H,1H3
InChIKeyUPPHQGMWMNSYNG-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.28
Rot. Bonds1

About 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine

2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine (PubChem CID 123350601) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine
PubChem CID123350601
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Name2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine
SMILESCc1cc(Cl)nc(Cl)c1N(O)O
InChIInChI=1S/C6H6Cl2N2O2/c1-3-2-4(7)9-6(8)5(3)10(11)12/h2,11-12H,1H3
InChIKeyUPPHQGMWMNSYNG-UHFFFAOYSA-N
XLogP2.28
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine?
The IUPAC name of 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine (CID 123350601) is 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine.
What is the SMILES notation for 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine?
The canonical SMILES for 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine is Cc1cc(Cl)nc(Cl)c1N(O)O.
What is the InChIKey of 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine?
The InChIKey is UPPHQGMWMNSYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2/c1-3-2-4(7)9-6(8)5(3)10(11)12/h2,11-12H,1H3.
What are the key properties of 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine?
2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine has a molecular weight of 209.03 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine is sourced from PubChem (CID 123350601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).