methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

C11H12ClN3O2 — CID 19587931

IUPACmethyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1c(Cl)c(C)nc2c1c(C)nn2C
InChIInChI=1S/C11H12ClN3O2/c1-5-7-8(11(16)17-4)9(12)6(2)13-10(7)15(3)14-5/h1-4H3
InChIKeyNMAKXERSJIOGMD-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.03
Rot. Bonds1

About methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 19587931) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID19587931
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Namemethyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1c(Cl)c(C)nc2c1c(C)nn2C
InChIInChI=1S/C11H12ClN3O2/c1-5-7-8(11(16)17-4)9(12)6(2)13-10(7)15(3)14-5/h1-4H3
InChIKeyNMAKXERSJIOGMD-UHFFFAOYSA-N
XLogP2.03
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 19587931) is methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1c(Cl)c(C)nc2c1c(C)nn2C.
What is the InChIKey of methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is NMAKXERSJIOGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-5-7-8(11(16)17-4)9(12)6(2)13-10(7)15(3)14-5/h1-4H3.
What are the key properties of methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19587931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).