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

C9H7F3N2O6 — CID 134670335

IUPAC2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESCOc1c([N+](=O)[O-])cc(CC(=O)O)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O6/c1-19-7-5(14(17)18)2-4(3-6(15)16)13-8(7)20-9(10,11)12/h2H,3H2,1H3,(H,15,16)
InChIKeyOGLPZQVIVRZROS-UHFFFAOYSA-N
MW296.16 g/mol
LogP1.52
Rot. Bonds5

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

2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134670335) has the molecular formula C9H7F3N2O6 and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134670335
Molecular FormulaC9H7F3N2O6
Molecular Weight296.16 g/mol
Exact Mass296.03
IUPAC Name2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESCOc1c([N+](=O)[O-])cc(CC(=O)O)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3N2O6/c1-19-7-5(14(17)18)2-4(3-6(15)16)13-8(7)20-9(10,11)12/h2H,3H2,1H3,(H,15,16)
InChIKeyOGLPZQVIVRZROS-UHFFFAOYSA-N
XLogP1.52
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-fluoro-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118804931
2-[5-(difluoromethyl)-6-methoxy-4-nitro-2-pyridinyl]acetic acid
CID 133098992
methyl 2-[6-fluoro-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680834
methyl 2-[6-iodo-4-nitro-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665848
2-[6-methoxy-2-nitro-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134670329
ethyl 2-[5-(difluoromethyl)-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682803
6-methoxy-4-nitro-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134670303
2-[6-(difluoromethyl)-2-methoxy-5-nitro-3-pyridinyl]acetic acid
CID 118803866
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
2-[5-fluoro-4-(fluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134677319
2-[5-methoxy-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670332

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134670335) is 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is COc1c([N+](=O)[O-])cc(CC(=O)O)nc1OC(F)(F)F.
What is the InChIKey of 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is OGLPZQVIVRZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O6/c1-19-7-5(14(17)18)2-4(3-6(15)16)13-8(7)20-9(10,11)12/h2H,3H2,1H3,(H,15,16).
What are the key properties of 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 296.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-4-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134670335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).