methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate

C16H13FN2O4 — CID 177176603

IUPACmethyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(C)c2cc1Oc1ccc(O)c(F)c1
InChIInChI=1S/C16H13FN2O4/c1-19-13-7-15(23-10-3-4-14(20)12(17)6-10)11(16(21)22-2)5-9(13)8-18-19/h3-8,20H,1-2H3
InChIKeyDDMNPNHMXYVJIR-UHFFFAOYSA-N
MW316.29 g/mol
LogP3.00
Rot. Bonds3

About methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate

methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate (PubChem CID 177176603) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate
PubChem CID177176603
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Namemethyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate
SMILESCOC(=O)c1cc2cnn(C)c2cc1Oc1ccc(O)c(F)c1
InChIInChI=1S/C16H13FN2O4/c1-19-13-7-15(23-10-3-4-14(20)12(17)6-10)11(16(21)22-2)5-9(13)8-18-19/h3-8,20H,1-2H3
InChIKeyDDMNPNHMXYVJIR-UHFFFAOYSA-N
XLogP3.00
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate?
The IUPAC name of methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate (CID 177176603) is methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate.
What is the SMILES notation for methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate?
The canonical SMILES for methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate is COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(O)c(F)c1.
What is the InChIKey of methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate?
The InChIKey is DDMNPNHMXYVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O4/c1-19-13-7-15(23-10-3-4-14(20)12(17)6-10)11(16(21)22-2)5-9(13)8-18-19/h3-8,20H,1-2H3.
What are the key properties of methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate?
methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate has a molecular weight of 316.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-fluoro-4-hydroxyphenoxy)-1-methylindazole-5-carboxylate is sourced from PubChem (CID 177176603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).