6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid

C7H4ClIN3O2P — CID 171067304

IUPAC6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c1cnn2PI
InChIInChI=1S/C7H4ClIN3O2P/c8-5-1-3(7(13)14)4-2-10-12(15-9)6(4)11-5/h1-2,15H,(H,13,14)
InChIKeyNWWPSCPYJLUZPB-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.57
Rot. Bonds2

About 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid

6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 171067304) has the molecular formula C7H4ClIN3O2P and a molecular weight of 355.46 g/mol. Its IUPAC name is 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID171067304
Molecular FormulaC7H4ClIN3O2P
Molecular Weight355.46 g/mol
Exact Mass354.88
IUPAC Name6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc2c1cnn2PI
InChIInChI=1S/C7H4ClIN3O2P/c8-5-1-3(7(13)14)4-2-10-12(15-9)6(4)11-5/h1-2,15H,(H,13,14)
InChIKeyNWWPSCPYJLUZPB-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylic acid
CID 169206112
5-chloro-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 121320776
5-chloro-7-ethylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 165081968
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
2-chloro-8-hydroxyquinoline-4-carboxylic acid
CID 115034200
6-chloro-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 86677623
6-chloro-1-methyl-3-prop-1-ynylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 89432852
tert-butyl 4,6-dichloropyrazolo[5,4-b]pyridine-1-carboxylate
CID 125425796
(6-chloro-4-methylpyrazolo[5,4-b]pyridin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 91014746
2,6-dichloro-3-(methylamino)pyridine-4-carboxylic acid
CID 122198422
2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
methyl 6-chloro-1-methylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 169206521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 171067304) is 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc2c1cnn2PI.
What is the InChIKey of 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is NWWPSCPYJLUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN3O2P/c8-5-1-3(7(13)14)4-2-10-12(15-9)6(4)11-5/h1-2,15H,(H,13,14).
What are the key properties of 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 355.46 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 171067304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).