3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine

C10H9IN6 — CID 137376251

IUPAC3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine
SMILESCc1nnnn1-c1ccc2c(n1)c(I)cn2C
InChIInChI=1S/C10H9IN6/c1-6-13-14-15-17(6)9-4-3-8-10(12-9)7(11)5-16(8)2/h3-5H,1-2H3
InChIKeyDGSXFQLNAAZRJD-UHFFFAOYSA-N
MW340.13 g/mol
LogP1.46
Rot. Bonds1

About 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine

3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine (PubChem CID 137376251) has the molecular formula C10H9IN6 and a molecular weight of 340.13 g/mol. Its IUPAC name is 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine
PubChem CID137376251
Molecular FormulaC10H9IN6
Molecular Weight340.13 g/mol
Exact Mass339.99
IUPAC Name3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine
SMILESCc1nnnn1-c1ccc2c(n1)c(I)cn2C
InChIInChI=1S/C10H9IN6/c1-6-13-14-15-17(6)9-4-3-8-10(12-9)7(11)5-16(8)2/h3-5H,1-2H3
InChIKeyDGSXFQLNAAZRJD-UHFFFAOYSA-N
XLogP1.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine (CID 137376251) is 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine is Cc1nnnn1-c1ccc2c(n1)c(I)cn2C.
What is the InChIKey of 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is DGSXFQLNAAZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN6/c1-6-13-14-15-17(6)9-4-3-8-10(12-9)7(11)5-16(8)2/h3-5H,1-2H3.
What are the key properties of 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine?
3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 340.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methyl-5-(5-methyltetrazol-1-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 137376251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).