7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine

C10H7ClIN5 — CID 168948418

IUPAC7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine
SMILESCn1nccc1-c1cc(Cl)c2n[nH]c(I)c2n1
InChIInChI=1S/C10H7ClIN5/c1-17-7(2-3-13-17)6-4-5(11)8-9(14-6)10(12)16-15-8/h2-4H,1H3,(H,15,16)
InChIKeyUWHGZRXGLVYKIK-UHFFFAOYSA-N
MW359.56 g/mol
LogP2.62
Rot. Bonds1

About 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine

7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine (PubChem CID 168948418) has the molecular formula C10H7ClIN5 and a molecular weight of 359.56 g/mol. Its IUPAC name is 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine
PubChem CID168948418
Molecular FormulaC10H7ClIN5
Molecular Weight359.56 g/mol
Exact Mass358.94
IUPAC Name7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine
SMILESCn1nccc1-c1cc(Cl)c2n[nH]c(I)c2n1
InChIInChI=1S/C10H7ClIN5/c1-17-7(2-3-13-17)6-4-5(11)8-9(14-6)10(12)16-15-8/h2-4H,1H3,(H,15,16)
InChIKeyUWHGZRXGLVYKIK-UHFFFAOYSA-N
XLogP2.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine (CID 168948418) is 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine is Cn1nccc1-c1cc(Cl)c2n[nH]c(I)c2n1.
What is the InChIKey of 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine?
The InChIKey is UWHGZRXGLVYKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClIN5/c1-17-7(2-3-13-17)6-4-5(11)8-9(14-6)10(12)16-15-8/h2-4H,1H3,(H,15,16).
What are the key properties of 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine?
7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine has a molecular weight of 359.56 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 168948418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).