2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide

C9H13N3O2 — CID 123526706

IUPAC2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCCO)nc1
InChIInChI=1S/C9H13N3O2/c10-8(11)5-7-1-2-9(12-6-7)14-4-3-13/h1-2,6,13H,3-5H2,(H3,10,11)
InChIKeyNPBWTUDYYWLWMN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.07
Rot. Bonds5

About 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide

2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide (PubChem CID 123526706) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide.

Molecular Properties

Compound Name2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide
PubChem CID123526706
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(OCCO)nc1
InChIInChI=1S/C9H13N3O2/c10-8(11)5-7-1-2-9(12-6-7)14-4-3-13/h1-2,6,13H,3-5H2,(H3,10,11)
InChIKeyNPBWTUDYYWLWMN-UHFFFAOYSA-N
XLogP-0.07
TPSA92.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide?
The IUPAC name of 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide (CID 123526706) is 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide.
What is the SMILES notation for 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide?
The canonical SMILES for 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(OCCO)nc1.
What is the InChIKey of 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide?
The InChIKey is NPBWTUDYYWLWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c10-8(11)5-7-1-2-9(12-6-7)14-4-3-13/h1-2,6,13H,3-5H2,(H3,10,11).
What are the key properties of 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide?
2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide has a molecular weight of 195.22 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxyethoxy)-3-pyridinyl]ethanimidamide is sourced from PubChem (CID 123526706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).