(5-bromo-3-pyridinyl) thiophene-2-carboxylate

C10H6BrNO2S — CID 71717907

IUPAC(5-bromo-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cncc(Br)c1)c1cccs1
InChIInChI=1S/C10H6BrNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
InChIKeyDBZLJJMKJAMBRF-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.12
Rot. Bonds2

About (5-bromo-3-pyridinyl) thiophene-2-carboxylate

(5-bromo-3-pyridinyl) thiophene-2-carboxylate (PubChem CID 71717907) has the molecular formula C10H6BrNO2S and a molecular weight of 284.13 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl) thiophene-2-carboxylate.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl) thiophene-2-carboxylate
PubChem CID71717907
Molecular FormulaC10H6BrNO2S
Molecular Weight284.13 g/mol
Exact Mass282.93
IUPAC Name(5-bromo-3-pyridinyl) thiophene-2-carboxylate
SMILESO=C(Oc1cncc(Br)c1)c1cccs1
InChIInChI=1S/C10H6BrNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H
InChIKeyDBZLJJMKJAMBRF-UHFFFAOYSA-N
XLogP3.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl) thiophene-2-carboxylate?
The IUPAC name of (5-bromo-3-pyridinyl) thiophene-2-carboxylate (CID 71717907) is (5-bromo-3-pyridinyl) thiophene-2-carboxylate.
What is the SMILES notation for (5-bromo-3-pyridinyl) thiophene-2-carboxylate?
The canonical SMILES for (5-bromo-3-pyridinyl) thiophene-2-carboxylate is O=C(Oc1cncc(Br)c1)c1cccs1.
What is the InChIKey of (5-bromo-3-pyridinyl) thiophene-2-carboxylate?
The InChIKey is DBZLJJMKJAMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2S/c11-7-4-8(6-12-5-7)14-10(13)9-2-1-3-15-9/h1-6H.
What are the key properties of (5-bromo-3-pyridinyl) thiophene-2-carboxylate?
(5-bromo-3-pyridinyl) thiophene-2-carboxylate has a molecular weight of 284.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl) thiophene-2-carboxylate is sourced from PubChem (CID 71717907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).