tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate

C14H15N3O3 — CID 137147204

IUPACtert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C#N)c2ccc(O)cc21
InChIInChI=1S/C14H15N3O3/c1-14(2,3)20-13(19)8-17-12-6-9(18)4-5-10(12)11(7-15)16-17/h4-6,18H,8H2,1-3H3
InChIKeyBGQIVHWJKOUNKN-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate

tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate (PubChem CID 137147204) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate
PubChem CID137147204
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Nametert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate
SMILESCC(C)(C)OC(=O)Cn1nc(C#N)c2ccc(O)cc21
InChIInChI=1S/C14H15N3O3/c1-14(2,3)20-13(19)8-17-12-6-9(18)4-5-10(12)11(7-15)16-17/h4-6,18H,8H2,1-3H3
InChIKeyBGQIVHWJKOUNKN-UHFFFAOYSA-N
XLogP1.96
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(3-ethyl-5-hydroxyindazol-1-yl)acetate
CID 123586260
3-cyano-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 175278187
tert-butyl 2-(3-amino-6-bromoindazol-1-yl)acetate
CID 155977865
6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
CID 174248433
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
tert-butyl 2-(5-chloro-3-iodoindazol-1-yl)acetate
CID 129217032
benzyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-6-carboxylate
CID 135318077
tert-butyl 2-(3-iodo-5,7-dihydrofuro[3,4-f]indazol-1-yl)acetate
CID 178100346
tert-butyl 2-(4-cyanopyrrolo[2,3-d]pyrimidin-7-yl)acetate
CID 130299669
tert-butyl 2-(5-amino-4-cyanopyrazol-1-yl)acetate
CID 68926068
tert-butyl 5-bromo-3-cyanoindazole-1-carboxylate
CID 163203492
tert-butyl 2-(3-ethylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 145446449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate?
The IUPAC name of tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate (CID 137147204) is tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate?
The canonical SMILES for tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate is CC(C)(C)OC(=O)Cn1nc(C#N)c2ccc(O)cc21.
What is the InChIKey of tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate?
The InChIKey is BGQIVHWJKOUNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-14(2,3)20-13(19)8-17-12-6-9(18)4-5-10(12)11(7-15)16-17/h4-6,18H,8H2,1-3H3.
What are the key properties of tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate?
tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate has a molecular weight of 273.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-cyano-6-hydroxyindazol-1-yl)acetate is sourced from PubChem (CID 137147204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).