5-(aminomethyl)pyridin-3-ol

C6H8N2O — CID 54057788

IUPAC5-(aminomethyl)pyridin-3-ol
SMILESNCc1cncc(O)c1
InChIInChI=1S/C6H8N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H,2,7H2
InChIKeyLXMHSJKKDQCDKN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.25
Rot. Bonds1

About 5-(aminomethyl)pyridin-3-ol

5-(aminomethyl)pyridin-3-ol (PubChem CID 54057788) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-(aminomethyl)pyridin-3-ol.

Molecular Properties

Compound Name5-(aminomethyl)pyridin-3-ol
PubChem CID54057788
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-(aminomethyl)pyridin-3-ol
SMILESNCc1cncc(O)c1
InChIInChI=1S/C6H8N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H,2,7H2
InChIKeyLXMHSJKKDQCDKN-UHFFFAOYSA-N
XLogP0.25
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)pyridin-3-ol?
The IUPAC name of 5-(aminomethyl)pyridin-3-ol (CID 54057788) is 5-(aminomethyl)pyridin-3-ol.
What is the SMILES notation for 5-(aminomethyl)pyridin-3-ol?
The canonical SMILES for 5-(aminomethyl)pyridin-3-ol is NCc1cncc(O)c1.
What is the InChIKey of 5-(aminomethyl)pyridin-3-ol?
The InChIKey is LXMHSJKKDQCDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-2-5-1-6(9)4-8-3-5/h1,3-4,9H,2,7H2.
What are the key properties of 5-(aminomethyl)pyridin-3-ol?
5-(aminomethyl)pyridin-3-ol has a molecular weight of 124.14 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)pyridin-3-ol is sourced from PubChem (CID 54057788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).