4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde

C12H10BrNO — CID 83488779

IUPAC4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1cc(-c2ccc(Br)cc2)cc1C=O
InChIInChI=1S/C12H10BrNO/c1-14-7-10(6-12(14)8-15)9-2-4-11(13)5-3-9/h2-8H,1H3
InChIKeyWGICTACCUMAIDZ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.27
Rot. Bonds2

About 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde

4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde (PubChem CID 83488779) has the molecular formula C12H10BrNO and a molecular weight of 264.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde
PubChem CID83488779
Molecular FormulaC12H10BrNO
Molecular Weight264.12 g/mol
Exact Mass262.99
IUPAC Name4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde
SMILESCn1cc(-c2ccc(Br)cc2)cc1C=O
InChIInChI=1S/C12H10BrNO/c1-14-7-10(6-12(14)8-15)9-2-4-11(13)5-3-9/h2-8H,1H3
InChIKeyWGICTACCUMAIDZ-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromophenyl)-1-methylpyrrol-2-amine
CID 117223205
1-methylpyrrole-2,4-dicarbaldehyde
CID 12676271
3-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde
CID 83488778
4-(4-bromophenyl)thiophene-2-carbaldehyde
CID 82379664
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-ethynyl-1-methylpyrrole-2-carbaldehyde
CID 155973810
4-(difluoromethyl)-1-methylpyrrole-2-carbaldehyde
CID 84650848
methane;methoxymethane;1-methylpyrrole-2,4-dicarbaldehyde
CID 143005650
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
4-phenyl-1-propan-2-ylpyrrole-2-carbaldehyde
CID 87320668
3-(4-bromophenyl)-5-iodobenzaldehyde
CID 139260528
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde?
The IUPAC name of 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde (CID 83488779) is 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde.
What is the SMILES notation for 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde?
The canonical SMILES for 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde is Cn1cc(-c2ccc(Br)cc2)cc1C=O.
What is the InChIKey of 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde?
The InChIKey is WGICTACCUMAIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO/c1-14-7-10(6-12(14)8-15)9-2-4-11(13)5-3-9/h2-8H,1H3.
What are the key properties of 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde?
4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde has a molecular weight of 264.12 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-methylpyrrole-2-carbaldehyde is sourced from PubChem (CID 83488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).