2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

C8H4F4N2O5 — CID 118804931

IUPAC2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8H4F4N2O5/c9-4-1-3(2-5(15)16)13-7(6(4)14(17)18)19-8(10,11)12/h1H,2H2,(H,15,16)
InChIKeyCQDBVDNWYGWRKT-UHFFFAOYSA-N
MW284.12 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 118804931) has the molecular formula C8H4F4N2O5 and a molecular weight of 284.12 g/mol. Its IUPAC name is 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID118804931
Molecular FormulaC8H4F4N2O5
Molecular Weight284.12 g/mol
Exact Mass284.01
IUPAC Name2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(F)c([N+](=O)[O-])c(OC(F)(F)F)n1
InChIInChI=1S/C8H4F4N2O5/c9-4-1-3(2-5(15)16)13-7(6(4)14(17)18)19-8(10,11)12/h1H,2H2,(H,15,16)
InChIKeyCQDBVDNWYGWRKT-UHFFFAOYSA-N
XLogP1.65
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670335
2-[5-fluoro-4-(fluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134677319
2-[2-iodo-3-nitro-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134676198
2-[6-(difluoromethyl)-4-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680885
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
5-(aminomethyl)-6-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 134660014
2-[6-iodo-3-nitro-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660035
ethyl 2-[6-methyl-3-nitro-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134672629
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
2-[4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134682629
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
5-nitro-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 134670731

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 118804931) is 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is O=C(O)Cc1cc(F)c([N+](=O)[O-])c(OC(F)(F)F)n1.
What is the InChIKey of 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is CQDBVDNWYGWRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O5/c9-4-1-3(2-5(15)16)13-7(6(4)14(17)18)19-8(10,11)12/h1H,2H2,(H,15,16).
What are the key properties of 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 284.12 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 118804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).