1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde

C12H10FNO — CID 87481318

IUPAC1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde
SMILESCc1cn(-c2ccc(F)cc2)cc1C=O
InChIInChI=1S/C12H10FNO/c1-9-6-14(7-10(9)8-15)12-4-2-11(13)3-5-12/h2-8H,1H3
InChIKeyBZBQBTRWRCMWTB-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.74
Rot. Bonds2

About 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde

1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde (PubChem CID 87481318) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde
PubChem CID87481318
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde
SMILESCc1cn(-c2ccc(F)cc2)cc1C=O
InChIInChI=1S/C12H10FNO/c1-9-6-14(7-10(9)8-15)12-4-2-11(13)3-5-12/h2-8H,1H3
InChIKeyBZBQBTRWRCMWTB-UHFFFAOYSA-N
XLogP2.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde?
The IUPAC name of 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde (CID 87481318) is 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde is Cc1cn(-c2ccc(F)cc2)cc1C=O.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde?
The InChIKey is BZBQBTRWRCMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c1-9-6-14(7-10(9)8-15)12-4-2-11(13)3-5-12/h2-8H,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde?
1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde has a molecular weight of 203.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylpyrrole-3-carbaldehyde is sourced from PubChem (CID 87481318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).