1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole

C14H9F3N4O3 — CID 166074042

IUPAC1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole
SMILESCn1ncc2cc(Oc3ccc(C(F)(F)F)cn3)cc([N+](=O)[O-])c21
InChIInChI=1S/C14H9F3N4O3/c1-20-13-8(6-19-20)4-10(5-11(13)21(22)23)24-12-3-2-9(7-18-12)14(15,16)17/h2-7H,1H3
InChIKeyWMYSNYYVVFWVBA-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.69
Rot. Bonds3

About 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole

1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole (PubChem CID 166074042) has the molecular formula C14H9F3N4O3 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole.

Molecular Properties

Compound Name1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole
PubChem CID166074042
Molecular FormulaC14H9F3N4O3
Molecular Weight338.25 g/mol
Exact Mass338.06
IUPAC Name1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole
SMILESCn1ncc2cc(Oc3ccc(C(F)(F)F)cn3)cc([N+](=O)[O-])c21
InChIInChI=1S/C14H9F3N4O3/c1-20-13-8(6-19-20)4-10(5-11(13)21(22)23)24-12-3-2-9(7-18-12)14(15,16)17/h2-7H,1H3
InChIKeyWMYSNYYVVFWVBA-UHFFFAOYSA-N
XLogP3.69
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
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-methoxy-3-nitrophenoxy)-5-(trifluoromethyl)pyridine
CID 166073857
N-(2-methylprop-2-enyl)-2-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 126694851
2-[4-[(5-nitro-2-pyridinyl)oxy]phenoxy]-5-(trifluoromethyl)pyridine
CID 2741453
3-(3,4-dinitrophenoxy)-1-methyl-5-(trifluoromethyl)pyrazole
CID 19775930
5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]pyridine
CID 82000164
methyl N-(ethylcarbamoyl)-2-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenecarboximidothioate
CID 70441771
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
3-bromo-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 103589164
6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline
CID 118295313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole?
The IUPAC name of 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole (CID 166074042) is 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole.
What is the SMILES notation for 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole?
The canonical SMILES for 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole is Cn1ncc2cc(Oc3ccc(C(F)(F)F)cn3)cc([N+](=O)[O-])c21.
What is the InChIKey of 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole?
The InChIKey is WMYSNYYVVFWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O3/c1-20-13-8(6-19-20)4-10(5-11(13)21(22)23)24-12-3-2-9(7-18-12)14(15,16)17/h2-7H,1H3.
What are the key properties of 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole?
1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole has a molecular weight of 338.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]indazole is sourced from PubChem (CID 166074042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).