4-fluoro-2-iodo-5-methoxybenzaldehyde

C8H6FIO2 — CID 171016936

IUPAC4-fluoro-2-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(I)cc1F
InChIInChI=1S/C8H6FIO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
InChIKeyQXJFQSUCARQEPL-UHFFFAOYSA-N
MW280.04 g/mol
LogP2.25
Rot. Bonds2

About 4-fluoro-2-iodo-5-methoxybenzaldehyde

4-fluoro-2-iodo-5-methoxybenzaldehyde (PubChem CID 171016936) has the molecular formula C8H6FIO2 and a molecular weight of 280.04 g/mol. Its IUPAC name is 4-fluoro-2-iodo-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-iodo-5-methoxybenzaldehyde
PubChem CID171016936
Molecular FormulaC8H6FIO2
Molecular Weight280.04 g/mol
Exact Mass279.94
IUPAC Name4-fluoro-2-iodo-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(I)cc1F
InChIInChI=1S/C8H6FIO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3
InChIKeyQXJFQSUCARQEPL-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-fluoro-4-methoxy-2-(trifluoromethyl)benzaldehyde
CID 131331528
4-fluoro-2-(5-fluoro-4-iodo-2-methoxyphenyl)-5-iodobenzaldehyde
CID 122645048
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158
2-(2-bromoacetyl)-4-fluoro-5-methoxybenzaldehyde
CID 171009532
3-fluoro-2,4,5-trimethoxybenzaldehyde
CID 117275489
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-2-methoxybenzaldehyde
CID 2774537

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-5-methoxybenzaldehyde?
The IUPAC name of 4-fluoro-2-iodo-5-methoxybenzaldehyde (CID 171016936) is 4-fluoro-2-iodo-5-methoxybenzaldehyde.
What is the SMILES notation for 4-fluoro-2-iodo-5-methoxybenzaldehyde?
The canonical SMILES for 4-fluoro-2-iodo-5-methoxybenzaldehyde is COc1cc(C=O)c(I)cc1F.
What is the InChIKey of 4-fluoro-2-iodo-5-methoxybenzaldehyde?
The InChIKey is QXJFQSUCARQEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO2/c1-12-8-2-5(4-11)7(10)3-6(8)9/h2-4H,1H3.
What are the key properties of 4-fluoro-2-iodo-5-methoxybenzaldehyde?
4-fluoro-2-iodo-5-methoxybenzaldehyde has a molecular weight of 280.04 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-5-methoxybenzaldehyde is sourced from PubChem (CID 171016936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).