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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Related Compounds

methyl 3-[(6-formyl-3-pyridinyl)oxy]-2,2-dimethylpropanoate
CID 79794322
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79794503
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-2-carbaldehyde
CID 55274198
5-[4-(2-hydroxypropan-2-yl)phenoxy]pyridine-2-carbaldehyde
CID 177219370
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
(6-formyl-3-pyridinyl) carbamate
CID 175352673
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835
5-but-2-ynoxypyridine-2-carbaldehyde
CID 79794219
2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
CID 79794063
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
2-(4-bromophenoxy)-2,2-difluoroethanol
CID 118664754
methyl 5-(2-bromo-1,1-difluoroethoxy)pyridine-2-carboxylate
CID 126715703

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).