[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol

C10H16N2O3 — CID 67628611

IUPAC[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol
SMILESNCCCOC1C=CC(=CO)NC1=CO
InChIInChI=1S/C10H16N2O3/c11-4-1-5-15-10-3-2-8(6-13)12-9(10)7-14/h2-3,6-7,10,12-14H,1,4-5,11H2
InChIKeyWSEXSFIOEJCPBV-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.68
Rot. Bonds4

About [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol

[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol (PubChem CID 67628611) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol.

Molecular Properties

Compound Name[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol
PubChem CID67628611
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol
SMILESNCCCOC1C=CC(=CO)NC1=CO
InChIInChI=1S/C10H16N2O3/c11-4-1-5-15-10-3-2-8(6-13)12-9(10)7-14/h2-3,6-7,10,12-14H,1,4-5,11H2
InChIKeyWSEXSFIOEJCPBV-UHFFFAOYSA-N
XLogP0.68
TPSA87.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol?
The IUPAC name of [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol (CID 67628611) is [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol.
What is the SMILES notation for [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol?
The canonical SMILES for [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol is NCCCOC1C=CC(=CO)NC1=CO.
What is the InChIKey of [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol?
The InChIKey is WSEXSFIOEJCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-4-1-5-15-10-3-2-8(6-13)12-9(10)7-14/h2-3,6-7,10,12-14H,1,4-5,11H2.
What are the key properties of [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol?
[3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol has a molecular weight of 212.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminopropoxy)-2-(hydroxymethylidene)-3H-pyridin-6-ylidene]methanol is sourced from PubChem (CID 67628611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).