2,4-difluoro-5-nitrosobenzoic acid

C7H3F2NO3 — CID 126624391

IUPAC2,4-difluoro-5-nitrosobenzoic acid
SMILESO=Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C7H3F2NO3/c8-4-2-5(9)6(10-13)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKeyUZHPYZAXFXXEQS-UHFFFAOYSA-N
MW187.10 g/mol
LogP2.06
Rot. Bonds2

About 2,4-difluoro-5-nitrosobenzoic acid

2,4-difluoro-5-nitrosobenzoic acid (PubChem CID 126624391) has the molecular formula C7H3F2NO3 and a molecular weight of 187.10 g/mol. Its IUPAC name is 2,4-difluoro-5-nitrosobenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-5-nitrosobenzoic acid
PubChem CID126624391
Molecular FormulaC7H3F2NO3
Molecular Weight187.10 g/mol
Exact Mass187.01
IUPAC Name2,4-difluoro-5-nitrosobenzoic acid
SMILESO=Nc1cc(C(=O)O)c(F)cc1F
InChIInChI=1S/C7H3F2NO3/c8-4-2-5(9)6(10-13)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKeyUZHPYZAXFXXEQS-UHFFFAOYSA-N
XLogP2.06
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.10
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluorobenzene-1,2,4-tricarboxylic acid
CID 139956779
methyl 2,5-difluoro-4-nitrosobenzoate
CID 145120849
4-chloro-2-fluoro-5-isocyanatobenzoic acid
CID 169353317
2,4-difluoro-5-formylbenzoic acid
CID 53405251
5-(bromomethyl)-2,4-difluorobenzoic acid
CID 66524399
2,4-difluorobenzoic acid;2,5-difluorobenzoic acid
CID 161054103
2,4-difluoro-5-methoxybenzoic acid
CID 117280967
5-(chloromethyl)-2,4-difluorobenzoic acid
CID 112693918
4-(4,5-dicarboxy-2-fluorobenzoyl)-5-fluorophthalic acid
CID 67941508
5-[(2-bromoacetyl)amino]-2,4-difluorobenzoic acid
CID 63679678
2,4-difluoro-5-pyrrol-1-ylbenzoic acid
CID 60828835
5-amino-2-fluoro-4-hydroxybenzoic acid
CID 84653970

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-nitrosobenzoic acid?
The IUPAC name of 2,4-difluoro-5-nitrosobenzoic acid (CID 126624391) is 2,4-difluoro-5-nitrosobenzoic acid.
What is the SMILES notation for 2,4-difluoro-5-nitrosobenzoic acid?
The canonical SMILES for 2,4-difluoro-5-nitrosobenzoic acid is O=Nc1cc(C(=O)O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-nitrosobenzoic acid?
The InChIKey is UZHPYZAXFXXEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F2NO3/c8-4-2-5(9)6(10-13)1-3(4)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2,4-difluoro-5-nitrosobenzoic acid?
2,4-difluoro-5-nitrosobenzoic acid has a molecular weight of 187.10 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-nitrosobenzoic acid is sourced from PubChem (CID 126624391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).