4-aminopyridine-3,5-diol

C5H6N2O2 — CID 53421074

IUPAC4-aminopyridine-3,5-diol
SMILESNc1c(O)cncc1O
InChIInChI=1S/C5H6N2O2/c6-5-3(8)1-7-2-4(5)9/h1-2,8-9H,(H2,6,7)
InChIKeyWTPNTRKKYPZUNJ-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.08
Rot. Bonds

About 4-aminopyridine-3,5-diol

4-aminopyridine-3,5-diol (PubChem CID 53421074) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 4-aminopyridine-3,5-diol.

Molecular Properties

Compound Name4-aminopyridine-3,5-diol
PubChem CID53421074
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name4-aminopyridine-3,5-diol
SMILESNc1c(O)cncc1O
InChIInChI=1S/C5H6N2O2/c6-5-3(8)1-7-2-4(5)9/h1-2,8-9H,(H2,6,7)
InChIKeyWTPNTRKKYPZUNJ-UHFFFAOYSA-N
XLogP0.08
TPSA79.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-3,5-diol?
The IUPAC name of 4-aminopyridine-3,5-diol (CID 53421074) is 4-aminopyridine-3,5-diol.
What is the SMILES notation for 4-aminopyridine-3,5-diol?
The canonical SMILES for 4-aminopyridine-3,5-diol is Nc1c(O)cncc1O.
What is the InChIKey of 4-aminopyridine-3,5-diol?
The InChIKey is WTPNTRKKYPZUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-5-3(8)1-7-2-4(5)9/h1-2,8-9H,(H2,6,7).
What are the key properties of 4-aminopyridine-3,5-diol?
4-aminopyridine-3,5-diol has a molecular weight of 126.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyridine-3,5-diol is sourced from PubChem (CID 53421074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).