6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid

C15H11Cl2IN3O4P — CID 145192708

IUPAC6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(C(=O)O)nn(PI)c3n2)c1Cl
InChIInChI=1S/C15H11Cl2IN3O4P/c1-24-8-5-9(25-2)12(17)10(11(8)16)7-4-3-6-13(15(22)23)20-21(26-18)14(6)19-7/h3-5,26H,1-2H3,(H,22,23)
InChIKeyQOMLDUVSIGRZKL-UHFFFAOYSA-N
MW526.05 g/mol
LogP4.91
Rot. Bonds5

About 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid

6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid (PubChem CID 145192708) has the molecular formula C15H11Cl2IN3O4P and a molecular weight of 526.05 g/mol. Its IUPAC name is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid
PubChem CID145192708
Molecular FormulaC15H11Cl2IN3O4P
Molecular Weight526.05 g/mol
Exact Mass524.89
IUPAC Name6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid
SMILESCOc1cc(OC)c(Cl)c(-c2ccc3c(C(=O)O)nn(PI)c3n2)c1Cl
InChIInChI=1S/C15H11Cl2IN3O4P/c1-24-8-5-9(25-2)12(17)10(11(8)16)7-4-3-6-13(15(22)23)20-21(26-18)14(6)19-7/h3-5,26H,1-2H3,(H,22,23)
InChIKeyQOMLDUVSIGRZKL-UHFFFAOYSA-N
XLogP4.91
TPSA86.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.05
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-piperazin-1-ylbenzamide
CID 129308354
6-ethyl-3,5-dimethoxypyridine-2-carboxylic acid
CID 90819541
5-chloro-6-cyclopropyl-3-methoxypyridine-2-carboxylic acid
CID 154126270
6-chloro-1-iodophosphanylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 171067304
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134624256
N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-6-[2-(ethylamino)ethylamino]pyridine-3-carboxamide
CID 129308453
tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
CID 68955432
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
CID 130408616
2-amino-6-(2,6-dichloro-3,5-dimethoxyphenyl)-N'-methylpyridine-3-carboximidamide;pyridine-4-carbaldehyde
CID 145019693
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-1-pyrrolidin-1-yl-2,6-naphthyridine
CID 142381099
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid (CID 145192708) is 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid is COc1cc(OC)c(Cl)c(-c2ccc3c(C(=O)O)nn(PI)c3n2)c1Cl.
What is the InChIKey of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
The InChIKey is QOMLDUVSIGRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN3O4P/c1-24-8-5-9(25-2)12(17)10(11(8)16)7-4-3-6-13(15(22)23)20-21(26-18)14(6)19-7/h3-5,26H,1-2H3,(H,22,23).
What are the key properties of 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid?
6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid has a molecular weight of 526.05 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloro-3,5-dimethoxyphenyl)-1-iodophosphanylpyrazolo[5,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 145192708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).