3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

C13H17IN2 — CID 176754448

IUPAC3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc(C(C)C)c2[nH]cc(I)c2n1
InChIInChI=1S/C13H17IN2/c1-7(2)9-5-11(8(3)4)16-13-10(14)6-15-12(9)13/h5-8,15H,1-4H3
InChIKeyQDQQEPFYXTUQRN-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.41
Rot. Bonds2

About 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 176754448) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
PubChem CID176754448
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)c1cc(C(C)C)c2[nH]cc(I)c2n1
InChIInChI=1S/C13H17IN2/c1-7(2)9-5-11(8(3)4)16-13-10(14)6-15-12(9)13/h5-8,15H,1-4H3
InChIKeyQDQQEPFYXTUQRN-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,7-di(propan-2-yl)-3-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
CID 176754465
8-iodo-N-methyl-2-propan-2-ylquinolin-4-amine
CID 63479524
5,7-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 166928332
3,4,6-tri(propan-2-yl)pyridazine
CID 58164838
2-methyl-5,7-di(propan-2-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 134301977
6,8-di(propan-2-yl)pyrido[3,2-d]pyrimidine
CID 130336662
2,8-di(propan-2-yl)quinoline-4-carbonitrile
CID 82448066
ethane;2,4,5-tri(propan-2-yl)pyridine
CID 167652229
2,5,7-tri(propan-2-yl)furo[3,2-b]pyridine
CID 134296434
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
8-chloro-6-iodo-2-propan-2-ylquinolin-4-amine
CID 107607874
3-iodo-6,8-dimethyl-1H-1,7-naphthyridin-4-one
CID 102941603

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine (CID 176754448) is 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine is CC(C)c1cc(C(C)C)c2[nH]cc(I)c2n1.
What is the InChIKey of 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is QDQQEPFYXTUQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2/c1-7(2)9-5-11(8(3)4)16-13-10(14)6-15-12(9)13/h5-8,15H,1-4H3.
What are the key properties of 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine?
3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 328.20 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5,7-di(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 176754448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).