4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde

C10H7FN2O2 — CID 139918150

IUPAC4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde
SMILESCc1nonc1-c1cc(F)ccc1C=O
InChIInChI=1S/C10H7FN2O2/c1-6-10(13-15-12-6)9-4-8(11)3-2-7(9)5-14/h2-5H,1H3
InChIKeyCLNMQPKGNFPSQS-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.00
Rot. Bonds2

About 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde

4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde (PubChem CID 139918150) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde
PubChem CID139918150
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde
SMILESCc1nonc1-c1cc(F)ccc1C=O
InChIInChI=1S/C10H7FN2O2/c1-6-10(13-15-12-6)9-4-8(11)3-2-7(9)5-14/h2-5H,1H3
InChIKeyCLNMQPKGNFPSQS-UHFFFAOYSA-N
XLogP2.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde 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

4-fluoro-2-methylbenzaldehyde
CID 2783217
4-fluoro-2-(1-methylimidazol-4-yl)benzaldehyde
CID 123296667
4-fluoro-2-(3-fluoro-4-methoxyphenyl)benzaldehyde
CID 114060111
5-fluoro-2,1,3-benzoxadiazole
CID 22905795
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
CID 117293129
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
CID 172653782
methyl 5-(5-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 86674254
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
4-fluoro-2-methoxybenzaldehyde
CID 2774537
5-fluoro-2-(4-methyl-2-pyridinyl)benzaldehyde
CID 141304242
ethyl 5-fluoro-2-formylbenzoate
CID 124705480
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde?
The IUPAC name of 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde (CID 139918150) is 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde.
What is the SMILES notation for 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde?
The canonical SMILES for 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde is Cc1nonc1-c1cc(F)ccc1C=O.
What is the InChIKey of 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde?
The InChIKey is CLNMQPKGNFPSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c1-6-10(13-15-12-6)9-4-8(11)3-2-7(9)5-14/h2-5H,1H3.
What are the key properties of 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde?
4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde has a molecular weight of 206.18 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methyl-1,2,5-oxadiazol-3-yl)benzaldehyde is sourced from PubChem (CID 139918150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).