6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde

C11H7BrN2OS — CID 80639451

IUPAC6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Sc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H7BrN2OS/c12-9-2-4-11(14-6-9)16-10-3-1-8(7-15)5-13-10/h1-7H
InChIKeyOUPBWYBQHDXNHG-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.20
Rot. Bonds3

About 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde

6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde (PubChem CID 80639451) has the molecular formula C11H7BrN2OS and a molecular weight of 295.16 g/mol. Its IUPAC name is 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
PubChem CID80639451
Molecular FormulaC11H7BrN2OS
Molecular Weight295.16 g/mol
Exact Mass293.95
IUPAC Name6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(Sc2ccc(Br)cn2)nc1
InChIInChI=1S/C11H7BrN2OS/c12-9-2-4-11(14-6-9)16-10-3-1-8(7-15)5-13-10/h1-7H
InChIKeyOUPBWYBQHDXNHG-UHFFFAOYSA-N
XLogP3.20
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethylsulfanylpyridine-3-carbaldehyde
CID 80639990
6-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carbaldehyde
CID 80640673
6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carbaldehyde
CID 80639523
2-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 80644250
6-quinazolin-4-ylsulfanylpyridine-3-carbaldehyde
CID 80640178
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
CID 80639652
S-(5-bromo-2-pyridinyl)thiohydroxylamine
CID 177140372
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
4-[(5-bromopyrimidin-2-yl)methyl]benzaldehyde
CID 58542273
5-bromo-2-(4-methylphenyl)sulfanylpyridine
CID 55219804
[6-[(5-formyl-2-pyridinyl)disulfanyl]-3-pyridinyl] formate
CID 164800287
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-methylpyridin-4-amine
CID 83270139

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde (CID 80639451) is 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde is O=Cc1ccc(Sc2ccc(Br)cn2)nc1.
What is the InChIKey of 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde?
The InChIKey is OUPBWYBQHDXNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2OS/c12-9-2-4-11(14-6-9)16-10-3-1-8(7-15)5-13-10/h1-7H.
What are the key properties of 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde?
6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde has a molecular weight of 295.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-pyridinyl)sulfanyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 80639451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).