ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C10H10ClIN3O2P — CID 176566248

IUPACethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2c1c(C)nn2PI
InChIInChI=1S/C10H10ClIN3O2P/c1-3-17-10(16)6-4-7(11)13-9-8(6)5(2)14-15(9)18-12/h4,18H,3H2,1-2H3
InChIKeyCCTBLRJITZDQMX-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.36
Rot. Bonds3

About ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 176566248) has the molecular formula C10H10ClIN3O2P and a molecular weight of 397.54 g/mol. Its IUPAC name is ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID176566248
Molecular FormulaC10H10ClIN3O2P
Molecular Weight397.54 g/mol
Exact Mass396.92
IUPAC Nameethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nc2c1c(C)nn2PI
InChIInChI=1S/C10H10ClIN3O2P/c1-3-17-10(16)6-4-7(11)13-9-8(6)5(2)14-15(9)18-12/h4,18H,3H2,1-2H3
InChIKeyCCTBLRJITZDQMX-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-chloro-3-iodo-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 86678158
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 6-bromo-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 86703418
ethyl 5-chloro-2-methylpyrazolo[4,3-b]pyridine-7-carboxylate
CID 169206457
ethyl 5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686171
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 6-chloro-2-phenylimidazo[1,2-b]pyridazine-8-carboxylate
CID 134551584
ethyl 2-chloro-7-methylquinoline-4-carboxylate
CID 143772126
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 176566248) is ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(Cl)nc2c1c(C)nn2PI.
What is the InChIKey of ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CCTBLRJITZDQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClIN3O2P/c1-3-17-10(16)6-4-7(11)13-9-8(6)5(2)14-15(9)18-12/h4,18H,3H2,1-2H3.
What are the key properties of ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?
ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 397.54 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-1-iodophosphanyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 176566248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).