5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde

C14H10FNO3 — CID 126763445

IUPAC5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde
SMILESCOc1cc(-c2ccccc2F)cc(C=O)c1N=O
InChIInChI=1S/C14H10FNO3/c1-19-13-7-9(6-10(8-17)14(13)16-18)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyYUIOTKKMVFSYIT-UHFFFAOYSA-N
MW259.24 g/mol
LogP3.71
Rot. Bonds4

About 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde

5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde (PubChem CID 126763445) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde
PubChem CID126763445
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde
SMILESCOc1cc(-c2ccccc2F)cc(C=O)c1N=O
InChIInChI=1S/C14H10FNO3/c1-19-13-7-9(6-10(8-17)14(13)16-18)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyYUIOTKKMVFSYIT-UHFFFAOYSA-N
XLogP3.71
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-(4-methoxyphenyl)-2-nitrosobenzaldehyde
CID 118874173
2-hydroxy-5-(2-methoxyphenyl)-3-nitrosobenzaldehyde
CID 126763378
5-(2-fluorophenyl)benzene-1,3-dicarbaldehyde
CID 167311950
2-(2-fluorophenyl)-5-methoxybenzaldehyde
CID 46314388
5-(2-fluoro-4-methoxyphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 59599763
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
4-(2,6-dimethoxyphenyl)-3-fluorobenzaldehyde
CID 116810904
5-(2-fluoro-5-methylphenyl)-2-methoxybenzaldehyde
CID 54912704
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-methoxy-3-methyl-5-(2-methylphenyl)benzaldehyde
CID 171919508

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde?
The IUPAC name of 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde (CID 126763445) is 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde.
What is the SMILES notation for 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde?
The canonical SMILES for 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde is COc1cc(-c2ccccc2F)cc(C=O)c1N=O.
What is the InChIKey of 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde?
The InChIKey is YUIOTKKMVFSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c1-19-13-7-9(6-10(8-17)14(13)16-18)11-4-2-3-5-12(11)15/h2-8H,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde?
5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde has a molecular weight of 259.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-methoxy-2-nitrosobenzaldehyde is sourced from PubChem (CID 126763445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).