[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid

C9H11FN2O3 — CID 68881147

IUPAC[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOC(CNC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H11FN2O3/c1-15-8(5-12-9(13)14)7-3-2-6(10)4-11-7/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyWXYXUFQSAYECTQ-UHFFFAOYSA-N
MW214.20 g/mol
LogP1.18
Rot. Bonds4

About [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid

[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid (PubChem CID 68881147) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
PubChem CID68881147
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid
SMILESCOC(CNC(=O)O)c1ccc(F)cn1
InChIInChI=1S/C9H11FN2O3/c1-15-8(5-12-9(13)14)7-3-2-6(10)4-11-7/h2-4,8,12H,5H2,1H3,(H,13,14)
InChIKeyWXYXUFQSAYECTQ-UHFFFAOYSA-N
XLogP1.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid (CID 68881147) is [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid is COC(CNC(=O)O)c1ccc(F)cn1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
The InChIKey is WXYXUFQSAYECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-15-8(5-12-9(13)14)7-3-2-6(10)4-11-7/h2-4,8,12H,5H2,1H3,(H,13,14).
What are the key properties of [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid?
[2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid has a molecular weight of 214.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-2-methoxyethyl]carbamic acid is sourced from PubChem (CID 68881147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).