3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine

C10H12IN3 — CID 90347962

IUPAC3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)n1cc(I)c2c(N)ccnc21
InChIInChI=1S/C10H12IN3/c1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14/h3-6H,1-2H3,(H2,12,13)
InChIKeyVHDWELIYQGKDEM-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.80
Rot. Bonds1

About 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine

3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine (PubChem CID 90347962) has the molecular formula C10H12IN3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
PubChem CID90347962
Molecular FormulaC10H12IN3
Molecular Weight301.13 g/mol
Exact Mass301.01
IUPAC Name3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)n1cc(I)c2c(N)ccnc21
InChIInChI=1S/C10H12IN3/c1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14/h3-6H,1-2H3,(H2,12,13)
InChIKeyVHDWELIYQGKDEM-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine (CID 90347962) is 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine is CC(C)n1cc(I)c2c(N)ccnc21.
What is the InChIKey of 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is VHDWELIYQGKDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3/c1-6(2)14-5-7(11)9-8(12)3-4-13-10(9)14/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine?
3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 301.13 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 90347962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).