methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate

C9H7IN2O2 — CID 121231756

IUPACmethyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(I)cc12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)7-5-11-12-3-2-6(10)4-8(7)12/h2-5H,1H3
InChIKeyQRGDAMDUCDFAQQ-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.73
Rot. Bonds1

About methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 121231756) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID121231756
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Namemethyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2ccc(I)cc12
InChIInChI=1S/C9H7IN2O2/c1-14-9(13)7-5-11-12-3-2-6(10)4-8(7)12/h2-5H,1H3
InChIKeyQRGDAMDUCDFAQQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588
methyl 5-(2-bromoethoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 134548276
methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 5-[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656041
methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 171656393
methyl 5-[4-[methoxycarbonyl(methyl)amino]butanoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831948
ethyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71464261
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
5-iodopyrazolo[1,5-a]pyridin-3-amine
CID 130048259
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
methyl 5-[[2-(oxolan-2-ylmethoxy)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 126831946

Frequently Asked Questions

What is the IUPAC name of methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate (CID 121231756) is methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2ccc(I)cc12.
What is the InChIKey of methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is QRGDAMDUCDFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-9(13)7-5-11-12-3-2-6(10)4-8(7)12/h2-5H,1H3.
What are the key properties of methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 302.07 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodopyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 121231756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).