ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate

C10H10ClN3O2 — CID 169206457

IUPACethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2cn(C)nc12
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-8(11)12-7-5-14(2)13-9(6)7/h4-5H,3H2,1-2H3
InChIKeyWQACGKVTGXANNJ-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.80
Rot. Bonds2

About ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate

ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate (PubChem CID 169206457) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
PubChem CID169206457
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2cn(C)nc12
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-8(11)12-7-5-14(2)13-9(6)7/h4-5H,3H2,1-2H3
InChIKeyWQACGKVTGXANNJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
ethyl 2-methylpyrazolo[3,4-c]pyridine-7-carboxylate
CID 118987364
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethene-1,1-diamine;ethyl 3-amino-1-methylpyrazole-4-carboxylate
CID 123601486
ethyl 3-acetamido-1-methylpyrazole-4-carboxylate
CID 11572025
ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 176566248
ethyl 3-amino-2-chloropyridine-4-carboxylate;ethyl 3-amino-2,6-dichloropyridine-4-carboxylate
CID 167658682
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate?
The IUPAC name of ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate (CID 169206457) is ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate?
The canonical SMILES for ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate is CCOC(=O)c1cc(Cl)nc2cn(C)nc12.
What is the InChIKey of ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate?
The InChIKey is WQACGKVTGXANNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)6-4-8(11)12-7-5-14(2)13-9(6)7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate?
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-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 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate is sourced from PubChem (CID 169206457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).