[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid

C10H11BrN2O3 — CID 67478740

IUPAC[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C10H11BrN2O3/c11-8-2-1-3-12-9(8)16-7-4-6(5-7)13-10(14)15/h1-3,6-7,13H,4-5H2,(H,14,15)
InChIKeySIBYFWOOQQYVRU-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.02
Rot. Bonds3

About [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid

[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid (PubChem CID 67478740) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
PubChem CID67478740
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncccc2Br)C1
InChIInChI=1S/C10H11BrN2O3/c11-8-2-1-3-12-9(8)16-7-4-6(5-7)13-10(14)15/h1-3,6-7,13H,4-5H2,(H,14,15)
InChIKeySIBYFWOOQQYVRU-UHFFFAOYSA-N
XLogP2.02
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid (CID 67478740) is [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid is O=C(O)NC1CC(Oc2ncccc2Br)C1.
What is the InChIKey of [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The InChIKey is SIBYFWOOQQYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-2-1-3-12-9(8)16-7-4-6(5-7)13-10(14)15/h1-3,6-7,13H,4-5H2,(H,14,15).
What are the key properties of [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
[3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid has a molecular weight of 287.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-2-pyridinyl)oxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 67478740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).