[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol

C10H7BrFNOS — CID 87624039

IUPAC[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol
SMILES[2H]C([2H])(O)c1cc(-c2cccnc2F)c(Br)s1
InChIInChI=1S/C10H7BrFNOS/c11-9-8(4-6(5-14)15-9)7-2-1-3-13-10(7)12/h1-4,14H,5H2/i5D2
InChIKeyHWYAZCYRQDTAGK-BFWBPSQCSA-N
MW290.15 g/mol
LogP3.20
Rot. Bonds2

About [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol

[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol (PubChem CID 87624039) has the molecular formula C10H7BrFNOS and a molecular weight of 290.15 g/mol. Its IUPAC name is [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol.

Molecular Properties

Compound Name[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol
PubChem CID87624039
Molecular FormulaC10H7BrFNOS
Molecular Weight290.15 g/mol
Exact Mass288.95
IUPAC Name[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol
SMILES[2H]C([2H])(O)c1cc(-c2cccnc2F)c(Br)s1
InChIInChI=1S/C10H7BrFNOS/c11-9-8(4-6(5-14)15-9)7-2-1-3-13-10(7)12/h1-4,14H,5H2/i5D2
InChIKeyHWYAZCYRQDTAGK-BFWBPSQCSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol?
The IUPAC name of [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol (CID 87624039) is [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol.
What is the SMILES notation for [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol?
The canonical SMILES for [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol is [2H]C([2H])(O)c1cc(-c2cccnc2F)c(Br)s1.
What is the InChIKey of [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol?
The InChIKey is HWYAZCYRQDTAGK-BFWBPSQCSA-N. The full InChI is InChI=1S/C10H7BrFNOS/c11-9-8(4-6(5-14)15-9)7-2-1-3-13-10(7)12/h1-4,14H,5H2/i5D2.
What are the key properties of [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol?
[5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol has a molecular weight of 290.15 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-dideuteriomethanol is sourced from PubChem (CID 87624039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).