1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol

C8H7BrFNO — CID 88951083

IUPAC1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol
SMILESOC1(c2ccc(F)c(Br)n2)CC1
InChIInChI=1S/C8H7BrFNO/c9-7-5(10)1-2-6(11-7)8(12)3-4-8/h1-2,12H,3-4H2
InChIKeySBBLGQZEHTYIJF-UHFFFAOYSA-N
MW232.05 g/mol
LogP1.96
Rot. Bonds1

About 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol

1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol (PubChem CID 88951083) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol
PubChem CID88951083
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol
SMILESOC1(c2ccc(F)c(Br)n2)CC1
InChIInChI=1S/C8H7BrFNO/c9-7-5(10)1-2-6(11-7)8(12)3-4-8/h1-2,12H,3-4H2
InChIKeySBBLGQZEHTYIJF-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol?
The IUPAC name of 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol (CID 88951083) is 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol is OC1(c2ccc(F)c(Br)n2)CC1.
What is the InChIKey of 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol?
The InChIKey is SBBLGQZEHTYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c9-7-5(10)1-2-6(11-7)8(12)3-4-8/h1-2,12H,3-4H2.
What are the key properties of 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol?
1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol has a molecular weight of 232.05 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-fluoro-2-pyridinyl)cyclopropan-1-ol is sourced from PubChem (CID 88951083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).