[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid

C9H9FN2O3 — CID 118064353

IUPAC[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnccc1C1(F)COC1
InChIInChI=1S/C9H9FN2O3/c10-9(4-15-5-9)6-1-2-11-3-7(6)12-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyNBXMOBMLMKUBJE-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.37
Rot. Bonds2

About [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid

[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid (PubChem CID 118064353) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid
PubChem CID118064353
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid
SMILESO=C(O)Nc1cnccc1C1(F)COC1
InChIInChI=1S/C9H9FN2O3/c10-9(4-15-5-9)6-1-2-11-3-7(6)12-8(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyNBXMOBMLMKUBJE-UHFFFAOYSA-N
XLogP1.37
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid?
The IUPAC name of [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid (CID 118064353) is [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid?
The canonical SMILES for [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid is O=C(O)Nc1cnccc1C1(F)COC1.
What is the InChIKey of [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid?
The InChIKey is NBXMOBMLMKUBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c10-9(4-15-5-9)6-1-2-11-3-7(6)12-8(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid?
[4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid has a molecular weight of 212.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorooxetan-3-yl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 118064353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).