6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole

C15H12FN3O3 — CID 170992588

IUPAC6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
SMILESCc1cc([N+](=O)[O-])c(Oc2ccc3cn(C)nc3c2)cc1F
InChIInChI=1S/C15H12FN3O3/c1-9-5-14(19(20)21)15(7-12(9)16)22-11-4-3-10-8-18(2)17-13(10)6-11/h3-8H,1-2H3
InChIKeyAEPAIKYCLPQVKF-UHFFFAOYSA-N
MW301.28 g/mol
LogP3.72
Rot. Bonds3

About 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole

6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole (PubChem CID 170992588) has the molecular formula C15H12FN3O3 and a molecular weight of 301.28 g/mol. Its IUPAC name is 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole.

Molecular Properties

Compound Name6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
PubChem CID170992588
Molecular FormulaC15H12FN3O3
Molecular Weight301.28 g/mol
Exact Mass301.09
IUPAC Name6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole
SMILESCc1cc([N+](=O)[O-])c(Oc2ccc3cn(C)nc3c2)cc1F
InChIInChI=1S/C15H12FN3O3/c1-9-5-14(19(20)21)15(7-12(9)16)22-11-4-3-10-8-18(2)17-13(10)6-11/h3-8H,1-2H3
InChIKeyAEPAIKYCLPQVKF-UHFFFAOYSA-N
XLogP3.72
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
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

1-bromo-4-(4-bromo-3-methylphenoxy)-2-fluoro-5-nitrobenzene
CID 83140191
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
1-bromo-5-(4-bromo-3-methylphenoxy)-2-fluoro-4-nitrobenzene
CID 116736759
4-[4-(chloromethyl)-2-nitrophenoxy]-2-fluoro-1-methylbenzene
CID 107169704
2-[4-(4-fluoro-5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 107709582
5-(5-fluoro-2-methyl-4-nitrophenoxy)-2-methylpyridine
CID 162431890
2-fluoro-4-(1-methylpyrazol-4-yl)oxy-5-nitrobenzoic acid
CID 116792576
6-(3-fluoro-4-methylphenyl)-2-methylindazole;propane
CID 166076580
1-(3-bromo-5-fluorophenoxy)-4-fluoro-5-methyl-2-nitrobenzene
CID 103591304
1,2-dimethyl-4-nitro-5-phenoxybenzene
CID 12887119
1-bromo-2-fluoro-5-(4-methylphenoxy)-4-nitrobenzene
CID 118684340
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole?
The IUPAC name of 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole (CID 170992588) is 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole.
What is the SMILES notation for 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole?
The canonical SMILES for 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole is Cc1cc([N+](=O)[O-])c(Oc2ccc3cn(C)nc3c2)cc1F.
What is the InChIKey of 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole?
The InChIKey is AEPAIKYCLPQVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3/c1-9-5-14(19(20)21)15(7-12(9)16)22-11-4-3-10-8-18(2)17-13(10)6-11/h3-8H,1-2H3.
What are the key properties of 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole?
6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole has a molecular weight of 301.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-4-methyl-2-nitrophenoxy)-2-methylindazole is sourced from PubChem (CID 170992588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).