[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol

C9H12ClNO3 — CID 61257163

IUPAC[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
SMILESCOCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C9H12ClNO3/c1-13-4-5-14-9-3-2-7(10)8(6-12)11-9/h2-3,12H,4-6H2,1H3
InChIKeyNWJAWZWZCJWCMZ-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.25
Rot. Bonds5

About [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol

[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol (PubChem CID 61257163) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
PubChem CID61257163
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
SMILESCOCCOc1ccc(Cl)c(CO)n1
InChIInChI=1S/C9H12ClNO3/c1-13-4-5-14-9-3-2-7(10)8(6-12)11-9/h2-3,12H,4-6H2,1H3
InChIKeyNWJAWZWZCJWCMZ-UHFFFAOYSA-N
XLogP1.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.25
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 [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol (CID 61257163) is [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol is COCCOc1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol?
The InChIKey is NWJAWZWZCJWCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-13-4-5-14-9-3-2-7(10)8(6-12)11-9/h2-3,12H,4-6H2,1H3.
What are the key properties of [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol?
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol has a molecular weight of 217.65 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61257163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).