1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol

C10H15N3O2 — CID 106667686

IUPAC1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
SMILESNCc1cc(N2CC(O)C(O)C2)ccn1
InChIInChI=1S/C10H15N3O2/c11-4-7-3-8(1-2-12-7)13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6,11H2
InChIKeyGEZYXBMYCGQBCW-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.92
Rot. Bonds2

About 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol

1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol (PubChem CID 106667686) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
PubChem CID106667686
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol
SMILESNCc1cc(N2CC(O)C(O)C2)ccn1
InChIInChI=1S/C10H15N3O2/c11-4-7-3-8(1-2-12-7)13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6,11H2
InChIKeyGEZYXBMYCGQBCW-UHFFFAOYSA-N
XLogP-0.92
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol (CID 106667686) is 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol is NCc1cc(N2CC(O)C(O)C2)ccn1.
What is the InChIKey of 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
The InChIKey is GEZYXBMYCGQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-4-7-3-8(1-2-12-7)13-5-9(14)10(15)6-13/h1-3,9-10,14-15H,4-6,11H2.
What are the key properties of 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol?
1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol has a molecular weight of 209.25 g/mol, XLogP of -0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-pyridinyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).