3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

C10H12IN3 — CID 118254316

IUPAC3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)Nc1cnc2[nH]cc(I)c2c1
InChIInChI=1S/C10H12IN3/c1-6(2)14-7-3-8-9(11)5-13-10(8)12-4-7/h3-6,14H,1-2H3,(H,12,13)
InChIKeyZOBZHXDODAUCAD-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.99
Rot. Bonds2

About 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine

3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 118254316) has the molecular formula C10H12IN3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
PubChem CID118254316
Molecular FormulaC10H12IN3
Molecular Weight301.13 g/mol
Exact Mass301.01
IUPAC Name3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine
SMILESCC(C)Nc1cnc2[nH]cc(I)c2c1
InChIInChI=1S/C10H12IN3/c1-6(2)14-7-3-8-9(11)5-13-10(8)12-4-7/h3-6,14H,1-2H3,(H,12,13)
InChIKeyZOBZHXDODAUCAD-UHFFFAOYSA-N
XLogP2.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The IUPAC name of 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 118254316) is 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine.
What is the SMILES notation for 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The canonical SMILES for 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is CC(C)Nc1cnc2[nH]cc(I)c2c1.
What is the InChIKey of 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
The InChIKey is ZOBZHXDODAUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3/c1-6(2)14-7-3-8-9(11)5-13-10(8)12-4-7/h3-6,14H,1-2H3,(H,12,13).
What are the key properties of 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine?
3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 301.13 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 118254316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).