4-bromothieno[2,3-c]pyridine-2-carbaldehyde

C8H4BrNOS — CID 121231809

IUPAC4-bromothieno[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(Br)cncc2s1
InChIInChI=1S/C8H4BrNOS/c9-7-2-10-3-8-6(7)1-5(4-11)12-8/h1-4H
InChIKeyRACXAGCCBHEHSB-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.87
Rot. Bonds1

About 4-bromothieno[2,3-c]pyridine-2-carbaldehyde

4-bromothieno[2,3-c]pyridine-2-carbaldehyde (PubChem CID 121231809) has the molecular formula C8H4BrNOS and a molecular weight of 242.10 g/mol. Its IUPAC name is 4-bromothieno[2,3-c]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-bromothieno[2,3-c]pyridine-2-carbaldehyde
PubChem CID121231809
Molecular FormulaC8H4BrNOS
Molecular Weight242.10 g/mol
Exact Mass240.92
IUPAC Name4-bromothieno[2,3-c]pyridine-2-carbaldehyde
SMILESO=Cc1cc2c(Br)cncc2s1
InChIInChI=1S/C8H4BrNOS/c9-7-2-10-3-8-6(7)1-5(4-11)12-8/h1-4H
InChIKeyRACXAGCCBHEHSB-UHFFFAOYSA-N
XLogP2.87
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 18516253
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Frequently Asked Questions

What is the IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carbaldehyde?
The IUPAC name of 4-bromothieno[2,3-c]pyridine-2-carbaldehyde (CID 121231809) is 4-bromothieno[2,3-c]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-bromothieno[2,3-c]pyridine-2-carbaldehyde?
The canonical SMILES for 4-bromothieno[2,3-c]pyridine-2-carbaldehyde is O=Cc1cc2c(Br)cncc2s1.
What is the InChIKey of 4-bromothieno[2,3-c]pyridine-2-carbaldehyde?
The InChIKey is RACXAGCCBHEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrNOS/c9-7-2-10-3-8-6(7)1-5(4-11)12-8/h1-4H.
What are the key properties of 4-bromothieno[2,3-c]pyridine-2-carbaldehyde?
4-bromothieno[2,3-c]pyridine-2-carbaldehyde has a molecular weight of 242.10 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[2,3-c]pyridine-2-carbaldehyde is sourced from PubChem (CID 121231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).