ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate

C11H10FN3O4 — CID 81296546

IUPACethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H10FN3O4/c1-2-19-11(16)10(12)14-9-5-8(15(17)18)4-3-7(9)6-13-14/h3-6,10H,2H2,1H3
InChIKeyWUPBSQSNGPPNQG-UHFFFAOYSA-N
MW267.22 g/mol
LogP1.98
Rot. Bonds4

About ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate

ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate (PubChem CID 81296546) has the molecular formula C11H10FN3O4 and a molecular weight of 267.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
PubChem CID81296546
Molecular FormulaC11H10FN3O4
Molecular Weight267.22 g/mol
Exact Mass267.07
IUPAC Nameethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
SMILESCCOC(=O)C(F)n1ncc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C11H10FN3O4/c1-2-19-11(16)10(12)14-9-5-8(15(17)18)4-3-7(9)6-13-14/h3-6,10H,2H2,1H3
InChIKeyWUPBSQSNGPPNQG-UHFFFAOYSA-N
XLogP1.98
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 51.98
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

3-methoxy-2-(6-nitroindazol-1-yl)propanehydrazide
CID 103229843
4-(6-nitroindazol-1-yl)pentanoic acid
CID 62215418
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
1-butyl-6-nitroindazole
CID 155169975
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
1-methoxy-3-(6-nitroindazol-1-yl)propan-2-ol
CID 63930886
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-2-fluoroacetate
CID 103098310
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
ethyl (3S)-3-amino-2-fluoro-3-(2-fluoro-5-nitrophenyl)propanoate
CID 171248340
1-chloro-3-(6-nitroindazol-1-yl)propan-2-ol
CID 112560077

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate (CID 81296546) is ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate is CCOC(=O)C(F)n1ncc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate?
The InChIKey is WUPBSQSNGPPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O4/c1-2-19-11(16)10(12)14-9-5-8(15(17)18)4-3-7(9)6-13-14/h3-6,10H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate?
ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate has a molecular weight of 267.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate is sourced from PubChem (CID 81296546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).