7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde

C9H7IN2OS — CID 59389419

IUPAC7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde
SMILESCSc1cc2c(C=O)ccc(I)n2n1
InChIInChI=1S/C9H7IN2OS/c1-14-9-4-7-6(5-13)2-3-8(10)12(7)11-9/h2-5H,1H3
InChIKeyBAAWGGGKVUQOMY-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.47
Rot. Bonds2

About 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde

7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde (PubChem CID 59389419) has the molecular formula C9H7IN2OS and a molecular weight of 318.14 g/mol. Its IUPAC name is 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde
PubChem CID59389419
Molecular FormulaC9H7IN2OS
Molecular Weight318.14 g/mol
Exact Mass317.93
IUPAC Name7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde
SMILESCSc1cc2c(C=O)ccc(I)n2n1
InChIInChI=1S/C9H7IN2OS/c1-14-9-4-7-6(5-13)2-3-8(10)12(7)11-9/h2-5H,1H3
InChIKeyBAAWGGGKVUQOMY-UHFFFAOYSA-N
XLogP2.47
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 89187467
acetic acid;4-hydroxy-2-iodobenzaldehyde
CID 175606546
7-iodopyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 167725185
7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59389347
2-iodo-4-(methylamino)benzaldehyde
CID 90365736
3-fluoro-4-iodo-2-methylbenzaldehyde
CID 164892060
[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine
CID 162554793
N,6-dimethylbenzimidazole-1-carboxamide
CID 141344220
2,5-difluoro-3-iodobenzaldehyde
CID 119015446
methyl 4-formyl-3-iodobenzoate
CID 131403378
2-methylpyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59334634
1-[1-(4-fluorophenyl)-3-methylsulfanylpyrazol-5-yl]ethanone
CID 90337842

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde?
The IUPAC name of 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde (CID 59389419) is 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde.
What is the SMILES notation for 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde?
The canonical SMILES for 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde is CSc1cc2c(C=O)ccc(I)n2n1.
What is the InChIKey of 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde?
The InChIKey is BAAWGGGKVUQOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS/c1-14-9-4-7-6(5-13)2-3-8(10)12(7)11-9/h2-5H,1H3.
What are the key properties of 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde?
7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde has a molecular weight of 318.14 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-methylsulfanylpyrazolo[1,5-a]pyridine-4-carbaldehyde is sourced from PubChem (CID 59389419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).