ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate

C10H10ClN3O2 — CID 76847135

IUPACethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2cnn(C)c2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-7-5-13-14(2)9(7)8(6)11/h4-5H,3H2,1-2H3
InChIKeyWMMSNJNJCCSCDZ-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.80
Rot. Bonds2

About ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate

ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 76847135) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID76847135
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2cnn(C)c2c1Cl
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-7-5-13-14(2)9(7)8(6)11/h4-5H,3H2,1-2H3
InChIKeyWMMSNJNJCCSCDZ-UHFFFAOYSA-N
XLogP1.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-1-(2,6-dichlorobenzyl)-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152280
3-Chloro-1-[(2-chloro-6-methylphenyl)methyl]pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 60152281
1-(2,6-dichlorobenzyl)-3-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 68183811
Ethyl 4-chloro-6-methylpyrazolo(1,5-a)pyrazine-2-carboxylate
CID 89740467
4-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
CID 10960333
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-3-carboxylate
CID 121372084
1-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 83679756
methyl 7-chloro-1-methyl-1H-pyrrolo(2,3-c)pyridine-3-carboxylate
CID 84689410
Ethyl 4-chloropyrazolo(1,5-a)pyrazine-2-carboxylate
CID 122238887
2-methyl-2H-pyrazolo[4,3-b]pyridine-6-carboxylic acid
CID 135394737
lithium(1+) 7-chloro-1-methyl-1H-pyrazolo[4,3-b]pyridine-6-carboxylate
CID 167726804
methyl 7-chloro-1-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 177799077

Frequently Asked Questions

What is the IUPAC name of ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate (CID 76847135) is ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2cnn(C)c2c1Cl.
What is the InChIKey of ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is WMMSNJNJCCSCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-12-7-5-13-14(2)9(7)8(6)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 76847135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).