[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid

C9H10F2N2O3 — CID 68849230

IUPAC[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOC(CNC(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C9H10F2N2O3/c1-16-7(4-13-9(14)15)8-6(11)2-5(10)3-12-8/h2-3,7,13H,4H2,1H3,(H,14,15)
InChIKeyUBTOLFQNDVDBPP-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.31
Rot. Bonds4

About [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid

[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid (PubChem CID 68849230) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
PubChem CID68849230
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOC(CNC(=O)O)c1ncc(F)cc1F
InChIInChI=1S/C9H10F2N2O3/c1-16-7(4-13-9(14)15)8-6(11)2-5(10)3-12-8/h2-3,7,13H,4H2,1H3,(H,14,15)
InChIKeyUBTOLFQNDVDBPP-UHFFFAOYSA-N
XLogP1.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The IUPAC name of [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid (CID 68849230) is [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid.
What is the SMILES notation for [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The canonical SMILES for [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid is COC(CNC(=O)O)c1ncc(F)cc1F.
What is the InChIKey of [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The InChIKey is UBTOLFQNDVDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-7(4-13-9(14)15)8-6(11)2-5(10)3-12-8/h2-3,7,13H,4H2,1H3,(H,14,15).
What are the key properties of [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
[2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid has a molecular weight of 232.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-difluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid is sourced from PubChem (CID 68849230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).