2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

C10H7BrN2O3S — CID 175088530

IUPAC2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1ccn(S(=O)(=O)c2cccnc2)c1Br
InChIInChI=1S/C10H7BrN2O3S/c11-10-8(7-14)3-5-13(10)17(15,16)9-2-1-4-12-6-9/h1-7H
InChIKeyMTOMQAJCTAFIJX-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.70
Rot. Bonds3

About 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde

2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (PubChem CID 175088530) has the molecular formula C10H7BrN2O3S and a molecular weight of 315.15 g/mol. Its IUPAC name is 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
PubChem CID175088530
Molecular FormulaC10H7BrN2O3S
Molecular Weight315.15 g/mol
Exact Mass313.94
IUPAC Name2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1ccn(S(=O)(=O)c2cccnc2)c1Br
InChIInChI=1S/C10H7BrN2O3S/c11-10-8(7-14)3-5-13(10)17(15,16)9-2-1-4-12-6-9/h1-7H
InChIKeyMTOMQAJCTAFIJX-UHFFFAOYSA-N
XLogP1.70
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 161441428
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
CID 23660685
3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
CID 159049899
5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 164883824
4-piperazin-1-yl-1-pyridin-3-ylsulfonylindole
CID 22015332
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde;(5-bromo-2-methyl-1-pyridin-3-ylsulfonylpyrrol-3-yl)methyl-(2,2-dimethylpropyl)carbamic acid
CID 87729079
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
3-(benzenesulfonyl)pyridine
CID 5147032
pyridine-3-sulfonamide;hydrochloride
CID 67156649

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde (CID 175088530) is 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is O=Cc1ccn(S(=O)(=O)c2cccnc2)c1Br.
What is the InChIKey of 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
The InChIKey is MTOMQAJCTAFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3S/c11-10-8(7-14)3-5-13(10)17(15,16)9-2-1-4-12-6-9/h1-7H.
What are the key properties of 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde?
2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde has a molecular weight of 315.15 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 175088530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).