[5-(2-ethoxyethoxy)-2-pyridinyl]methanol

C10H15NO3 — CID 23467162

IUPAC[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
SMILESCCOCCOc1ccc(CO)nc1
InChIInChI=1S/C10H15NO3/c1-2-13-5-6-14-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKFQNMUKXDHCRSU-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.99
Rot. Bonds6

About [5-(2-ethoxyethoxy)-2-pyridinyl]methanol

[5-(2-ethoxyethoxy)-2-pyridinyl]methanol (PubChem CID 23467162) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [5-(2-ethoxyethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
PubChem CID23467162
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[5-(2-ethoxyethoxy)-2-pyridinyl]methanol
SMILESCCOCCOc1ccc(CO)nc1
InChIInChI=1S/C10H15NO3/c1-2-13-5-6-14-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyKFQNMUKXDHCRSU-UHFFFAOYSA-N
XLogP0.99
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethoxyethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(2-ethoxyethoxy)-2-pyridinyl]methanol (CID 23467162) is [5-(2-ethoxyethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(2-ethoxyethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(2-ethoxyethoxy)-2-pyridinyl]methanol is CCOCCOc1ccc(CO)nc1.
What is the InChIKey of [5-(2-ethoxyethoxy)-2-pyridinyl]methanol?
The InChIKey is KFQNMUKXDHCRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-13-5-6-14-10-4-3-9(8-12)11-7-10/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of [5-(2-ethoxyethoxy)-2-pyridinyl]methanol?
[5-(2-ethoxyethoxy)-2-pyridinyl]methanol has a molecular weight of 197.23 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethoxyethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 23467162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).