2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol

C9H15N3O2 — CID 104540016

IUPAC2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ncccc1N(CCO)CCO
InChIInChI=1S/C9H15N3O2/c10-9-8(2-1-3-11-9)12(4-6-13)5-7-14/h1-3,13-14H,4-7H2,(H2,10,11)
InChIKeyILEHSPLBSHNFIV-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.55
Rot. Bonds5

About 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol

2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 104540016) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
PubChem CID104540016
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1ncccc1N(CCO)CCO
InChIInChI=1S/C9H15N3O2/c10-9-8(2-1-3-11-9)12(4-6-13)5-7-14/h1-3,13-14H,4-7H2,(H2,10,11)
InChIKeyILEHSPLBSHNFIV-UHFFFAOYSA-N
XLogP-0.55
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol (CID 104540016) is 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol is Nc1ncccc1N(CCO)CCO.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ILEHSPLBSHNFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-9-8(2-1-3-11-9)12(4-6-13)5-7-14/h1-3,13-14H,4-7H2,(H2,10,11).
What are the key properties of 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol?
2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 197.24 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 104540016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).