[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid

C10H10BrFN2O3 — CID 67995437

IUPAC[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncc(F)cc2Br)C1
InChIInChI=1S/C10H10BrFN2O3/c11-8-1-5(12)4-13-9(8)17-7-2-6(3-7)14-10(15)16/h1,4,6-7,14H,2-3H2,(H,15,16)
InChIKeyBAKONQDKBHNFRX-UHFFFAOYSA-N
MW305.10 g/mol
LogP2.16
Rot. Bonds3

About [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid

[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid (PubChem CID 67995437) has the molecular formula C10H10BrFN2O3 and a molecular weight of 305.10 g/mol. Its IUPAC name is [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid
PubChem CID67995437
Molecular FormulaC10H10BrFN2O3
Molecular Weight305.10 g/mol
Exact Mass303.99
IUPAC Name[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncc(F)cc2Br)C1
InChIInChI=1S/C10H10BrFN2O3/c11-8-1-5(12)4-13-9(8)17-7-2-6(3-7)14-10(15)16/h1,4,6-7,14H,2-3H2,(H,15,16)
InChIKeyBAKONQDKBHNFRX-UHFFFAOYSA-N
XLogP2.16
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.10
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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CID 68780619
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CID 108165809
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CID 117602227
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CID 118419915
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CID 118419916
CID 118419916

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid (CID 67995437) is [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid is O=C(O)NC1CC(Oc2ncc(F)cc2Br)C1.
What is the InChIKey of [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
The InChIKey is BAKONQDKBHNFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O3/c11-8-1-5(12)4-13-9(8)17-7-2-6(3-7)14-10(15)16/h1,4,6-7,14H,2-3H2,(H,15,16).
What are the key properties of [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid?
[3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid has a molecular weight of 305.10 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 67995437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).