5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane

C10H13F2NO3 — CID 176709828

IUPAC5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(OC(F)(F)CO)cn1
InChIInChI=1S/C8H7F2NO3.C2H6/c9-8(10,5-13)14-7-2-1-6(4-12)11-3-7;1-2/h1-4,13H,5H2;1-2H3
InChIKeySOBXMKBITWWPPK-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.88
Rot. Bonds4

About 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane

5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane (PubChem CID 176709828) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane.

Molecular Properties

Compound Name5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane
PubChem CID176709828
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane
SMILESCC.O=Cc1ccc(OC(F)(F)CO)cn1
InChIInChI=1S/C8H7F2NO3.C2H6/c9-8(10,5-13)14-7-2-1-6(4-12)11-3-7;1-2/h1-4,13H,5H2;1-2H3
InChIKeySOBXMKBITWWPPK-UHFFFAOYSA-N
XLogP1.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane?
The IUPAC name of 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane (CID 176709828) is 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane.
What is the SMILES notation for 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane?
The canonical SMILES for 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane is CC.O=Cc1ccc(OC(F)(F)CO)cn1.
What is the InChIKey of 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane?
The InChIKey is SOBXMKBITWWPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3.C2H6/c9-8(10,5-13)14-7-2-1-6(4-12)11-3-7;1-2/h1-4,13H,5H2;1-2H3.
What are the key properties of 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane?
5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane has a molecular weight of 233.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-hydroxyethoxy)pyridine-2-carbaldehyde;ethane is sourced from PubChem (CID 176709828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).