methyl 5-fluoro-2-nitrosobenzoate

C8H6FNO3 — CID 142433030

IUPACmethyl 5-fluoro-2-nitrosobenzoate
SMILESCOC(=O)c1cc(F)ccc1N=O
InChIInChI=1S/C8H6FNO3/c1-13-8(11)6-4-5(9)2-3-7(6)10-12/h2-4H,1H3
InChIKeyXNMLJHZOFDDIGY-UHFFFAOYSA-N
MW183.14 g/mol
LogP2.01
Rot. Bonds2

About methyl 5-fluoro-2-nitrosobenzoate

methyl 5-fluoro-2-nitrosobenzoate (PubChem CID 142433030) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is methyl 5-fluoro-2-nitrosobenzoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-nitrosobenzoate
PubChem CID142433030
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Namemethyl 5-fluoro-2-nitrosobenzoate
SMILESCOC(=O)c1cc(F)ccc1N=O
InChIInChI=1S/C8H6FNO3/c1-13-8(11)6-4-5(9)2-3-7(6)10-12/h2-4H,1H3
InChIKeyXNMLJHZOFDDIGY-UHFFFAOYSA-N
XLogP2.01
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-2-(4-fluoro-2-methoxycarbonyl-6-nitrosophenyl)-3-nitrosobenzoate
CID 89201211
methyl 5-(hydroxyamino)-2-nitrosobenzoate
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methyl 2,5-difluoro-4-nitrosobenzoate
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methyl 2-acetamido-5-fluorobenzoate
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methyl 5-fluoro-2-(hydroxymethyl)benzoate
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methyl 2-(2,3-dicyanopropylideneamino)-5-fluorobenzoate
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methyl 2-[(1S)-1-aminoethyl]-5-fluorobenzoate
CID 130699725
methyl 2,4-diamino-3-fluoro-5-nitrosobenzoate
CID 90693301
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200
methyl 2-(cyclopropylamino)-5-fluorobenzoate
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methyl 5-fluoro-2-(propanoylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-nitrosobenzoate?
The IUPAC name of methyl 5-fluoro-2-nitrosobenzoate (CID 142433030) is methyl 5-fluoro-2-nitrosobenzoate.
What is the SMILES notation for methyl 5-fluoro-2-nitrosobenzoate?
The canonical SMILES for methyl 5-fluoro-2-nitrosobenzoate is COC(=O)c1cc(F)ccc1N=O.
What is the InChIKey of methyl 5-fluoro-2-nitrosobenzoate?
The InChIKey is XNMLJHZOFDDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c1-13-8(11)6-4-5(9)2-3-7(6)10-12/h2-4H,1H3.
What are the key properties of methyl 5-fluoro-2-nitrosobenzoate?
methyl 5-fluoro-2-nitrosobenzoate has a molecular weight of 183.14 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-nitrosobenzoate is sourced from PubChem (CID 142433030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).