3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

C10H11IN2O — CID 24801016

IUPAC3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGVMNNCFBBHBMQA-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.95
Rot. Bonds2

About 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine

3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24801016) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID24801016
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Oc1ccnc2[nH]cc(I)c12
InChIInChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyGVMNNCFBBHBMQA-UHFFFAOYSA-N
XLogP2.95
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-methylphenol;3-methyl-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine
CID 144894366
3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 71302995
2-[2-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethylidene]propanedinitrile
CID 118267371
methyl 3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
CID 53412715
(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
CID 118267780
(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 84655944
(E)-3-[4-(1-hydroxypropan-2-yloxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267964
1-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 24801189
7-propan-2-yloxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
CID 84672242
4-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 53412885
6-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;6-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 158952776
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine (CID 24801016) is 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is CC(C)Oc1ccnc2[nH]cc(I)c12.
What is the InChIKey of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GVMNNCFBBHBMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c1-6(2)14-8-3-4-12-10-9(8)7(11)5-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine?
3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 302.12 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24801016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).