ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

C10H10ClN3O2 — CID 122442696

IUPACethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2n[nH]c(C)c2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyWVZYIVJIDTZTHM-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.10
Rot. Bonds2

About ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 122442696) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID122442696
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2n[nH]c(C)c2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyWVZYIVJIDTZTHM-UHFFFAOYSA-N
XLogP2.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 122442696) is ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.
What is the InChIKey of ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WVZYIVJIDTZTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 122442696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).