2-fluoro-5-iodo-3-methylbenzaldehyde

C8H6FIO — CID 164891132

IUPAC2-fluoro-5-iodo-3-methylbenzaldehyde
SMILESCc1cc(I)cc(C=O)c1F
InChIInChI=1S/C8H6FIO/c1-5-2-7(10)3-6(4-11)8(5)9/h2-4H,1H3
InChIKeyYQAIFYDLCCOTCE-UHFFFAOYSA-N
MW264.04 g/mol
LogP2.55
Rot. Bonds1

About 2-fluoro-5-iodo-3-methylbenzaldehyde

2-fluoro-5-iodo-3-methylbenzaldehyde (PubChem CID 164891132) has the molecular formula C8H6FIO and a molecular weight of 264.04 g/mol. Its IUPAC name is 2-fluoro-5-iodo-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-fluoro-5-iodo-3-methylbenzaldehyde
PubChem CID164891132
Molecular FormulaC8H6FIO
Molecular Weight264.04 g/mol
Exact Mass263.94
IUPAC Name2-fluoro-5-iodo-3-methylbenzaldehyde
SMILESCc1cc(I)cc(C=O)c1F
InChIInChI=1S/C8H6FIO/c1-5-2-7(10)3-6(4-11)8(5)9/h2-4H,1H3
InChIKeyYQAIFYDLCCOTCE-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.04
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-iodo-3-methylbenzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

methyl 4-fluoro-3-formyl-5-methylbenzoate
CID 164893562
2-fluoro-5-iodo-3-methylphenol
CID 164892490
2-fluoro-5-(3-fluorophenyl)-3-methylbenzaldehyde
CID 142366319
2-butoxy-5-iodo-3-methylbenzaldehyde
CID 100581502
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
2,5-difluoro-3-iodobenzaldehyde
CID 119015446
5-bromo-2-fluoro-3-methylbenzaldehyde;(NE)-N-[(5-bromo-2-fluoro-3-methylphenyl)methylidene]hydroxylamine
CID 172961241
2-bromo-3-fluoro-6-methylpyridine-4-carbaldehyde
CID 118454945
2-fluoro-5-iodo-3-methylbenzoate
CID 53249655
3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
CID 164892812
2,3,4,5-tetrafluorobenzaldehyde
CID 2734023
3-fluoro-4-iodo-2-methylbenzaldehyde
CID 164892060

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-3-methylbenzaldehyde?
The IUPAC name of 2-fluoro-5-iodo-3-methylbenzaldehyde (CID 164891132) is 2-fluoro-5-iodo-3-methylbenzaldehyde.
What is the SMILES notation for 2-fluoro-5-iodo-3-methylbenzaldehyde?
The canonical SMILES for 2-fluoro-5-iodo-3-methylbenzaldehyde is Cc1cc(I)cc(C=O)c1F.
What is the InChIKey of 2-fluoro-5-iodo-3-methylbenzaldehyde?
The InChIKey is YQAIFYDLCCOTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO/c1-5-2-7(10)3-6(4-11)8(5)9/h2-4H,1H3.
What are the key properties of 2-fluoro-5-iodo-3-methylbenzaldehyde?
2-fluoro-5-iodo-3-methylbenzaldehyde has a molecular weight of 264.04 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-3-methylbenzaldehyde is sourced from PubChem (CID 164891132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).