[6-(1,2-diaminoethyl)-2-pyridinyl]methanol

C8H13N3O — CID 55291801

IUPAC[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
SMILESNCC(N)c1cccc(CO)n1
InChIInChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2
InChIKeyRWEUYAZPAASZRL-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.47
Rot. Bonds3

About [6-(1,2-diaminoethyl)-2-pyridinyl]methanol

[6-(1,2-diaminoethyl)-2-pyridinyl]methanol (PubChem CID 55291801) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [6-(1,2-diaminoethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
PubChem CID55291801
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[6-(1,2-diaminoethyl)-2-pyridinyl]methanol
SMILESNCC(N)c1cccc(CO)n1
InChIInChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2
InChIKeyRWEUYAZPAASZRL-UHFFFAOYSA-N
XLogP-0.47
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [6-(1,2-diaminoethyl)-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol (CID 55291801) is [6-(1,2-diaminoethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol is NCC(N)c1cccc(CO)n1.
What is the InChIKey of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
The InChIKey is RWEUYAZPAASZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-4-7(10)8-3-1-2-6(5-12)11-8/h1-3,7,12H,4-5,9-10H2.
What are the key properties of [6-(1,2-diaminoethyl)-2-pyridinyl]methanol?
[6-(1,2-diaminoethyl)-2-pyridinyl]methanol has a molecular weight of 167.21 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,2-diaminoethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 55291801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).