2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid

C7H5FN2O4 — CID 130830429

IUPAC2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5FN2O4/c8-4-1-6(10(13)14)5(9-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyFIOFANDHGDQHDF-UHFFFAOYSA-N
MW200.12 g/mol
LogP0.76
Rot. Bonds3

About 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid

2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid (PubChem CID 130830429) has the molecular formula C7H5FN2O4 and a molecular weight of 200.12 g/mol. Its IUPAC name is 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid
PubChem CID130830429
Molecular FormulaC7H5FN2O4
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1ncc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H5FN2O4/c8-4-1-6(10(13)14)5(9-3-4)2-7(11)12/h1,3H,2H2,(H,11,12)
InChIKeyFIOFANDHGDQHDF-UHFFFAOYSA-N
XLogP0.76
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118704084
2-[6-(difluoromethyl)-5-fluoro-3-nitro-2-pyridinyl]acetic acid
CID 118803536
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-[2-(bromomethyl)-5-fluoro-3-nitrophenyl]acetic acid
CID 171011427
2-(4-fluoro-2-formyl-6-nitrophenyl)acetic acid
CID 171015626
2-[4-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118835156
2-[3-hydroxy-5-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134681270
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
sodium 2-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 139026452
2-[4-cyano-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 118833612
2-[3-cyano-4-(difluoromethyl)-5-nitro-2-pyridinyl]acetic acid
CID 134672480

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid?
The IUPAC name of 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid (CID 130830429) is 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid is O=C(O)Cc1ncc(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid?
The InChIKey is FIOFANDHGDQHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O4/c8-4-1-6(10(13)14)5(9-3-4)2-7(11)12/h1,3H,2H2,(H,11,12).
What are the key properties of 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid?
2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid has a molecular weight of 200.12 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-nitro-2-pyridinyl)acetic acid is sourced from PubChem (CID 130830429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).