3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol

C10H10ClNO3 — CID 168974810

IUPAC3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol
SMILESCOCOc1cc(C#CCO)cnc1Cl
InChIInChI=1S/C10H10ClNO3/c1-14-7-15-9-5-8(3-2-4-13)6-12-10(9)11/h5-6,13H,4,7H2,1H3
InChIKeyWZNXTXOUESQYCW-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.06
Rot. Bonds3

About 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol

3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol (PubChem CID 168974810) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol
PubChem CID168974810
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol
SMILESCOCOc1cc(C#CCO)cnc1Cl
InChIInChI=1S/C10H10ClNO3/c1-14-7-15-9-5-8(3-2-4-13)6-12-10(9)11/h5-6,13H,4,7H2,1H3
InChIKeyWZNXTXOUESQYCW-UHFFFAOYSA-N
XLogP1.06
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol (CID 168974810) is 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol is COCOc1cc(C#CCO)cnc1Cl.
What is the InChIKey of 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol?
The InChIKey is WZNXTXOUESQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-14-7-15-9-5-8(3-2-4-13)6-12-10(9)11/h5-6,13H,4,7H2,1H3.
What are the key properties of 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol?
3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol has a molecular weight of 227.65 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-5-(methoxymethoxy)-3-pyridinyl]prop-2-yn-1-ol is sourced from PubChem (CID 168974810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).