5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde

C11H10FN3O2 — CID 151511339

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde
SMILESCOc1cccc(F)c1-c1nnn(C)c1C=O
InChIInChI=1S/C11H10FN3O2/c1-15-8(6-16)11(13-14-15)10-7(12)4-3-5-9(10)17-2/h3-6H,1-2H3
InChIKeyPSNOMSSWTDDQPQ-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.44
Rot. Bonds3

About 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde

5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde (PubChem CID 151511339) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde
PubChem CID151511339
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde
SMILESCOc1cccc(F)c1-c1nnn(C)c1C=O
InChIInChI=1S/C11H10FN3O2/c1-15-8(6-16)11(13-14-15)10-7(12)4-3-5-9(10)17-2/h3-6H,1-2H3
InChIKeyPSNOMSSWTDDQPQ-UHFFFAOYSA-N
XLogP1.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 163338029
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
7-chloro-3-(2-fluoro-6-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65432875
2-(2-formyl-6-methoxyphenyl)-3-methoxybenzaldehyde
CID 15694387
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
3-(2-fluoro-6-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389344
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
7-methoxy-1,3-dimethylindole-2-carbaldehyde
CID 82491728
[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165472079
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde (CID 151511339) is 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde is COc1cccc(F)c1-c1nnn(C)c1C=O.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde?
The InChIKey is PSNOMSSWTDDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-8(6-16)11(13-14-15)10-7(12)4-3-5-9(10)17-2/h3-6H,1-2H3.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde?
5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde has a molecular weight of 235.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-methyltriazole-4-carbaldehyde is sourced from PubChem (CID 151511339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).