8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine

C11H12IN3 — CID 67377459

IUPAC8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine
SMILESC=CCNc1ccn2cc(C)nc2c1I
InChIInChI=1S/C11H12IN3/c1-3-5-13-9-4-6-15-7-8(2)14-11(15)10(9)12/h3-4,6-7,13H,1,5H2,2H3
InChIKeyIHRCRDIEUIKXBJ-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.85
Rot. Bonds3

About 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine

8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine (PubChem CID 67377459) has the molecular formula C11H12IN3 and a molecular weight of 313.14 g/mol. Its IUPAC name is 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine.

Molecular Properties

Compound Name8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine
PubChem CID67377459
Molecular FormulaC11H12IN3
Molecular Weight313.14 g/mol
Exact Mass313.01
IUPAC Name8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine
SMILESC=CCNc1ccn2cc(C)nc2c1I
InChIInChI=1S/C11H12IN3/c1-3-5-13-9-4-6-15-7-8(2)14-11(15)10(9)12/h3-4,6-7,13H,1,5H2,2H3
InChIKeyIHRCRDIEUIKXBJ-UHFFFAOYSA-N
XLogP2.85
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine?
The IUPAC name of 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine (CID 67377459) is 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine.
What is the SMILES notation for 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine?
The canonical SMILES for 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine is C=CCNc1ccn2cc(C)nc2c1I.
What is the InChIKey of 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine?
The InChIKey is IHRCRDIEUIKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3/c1-3-5-13-9-4-6-15-7-8(2)14-11(15)10(9)12/h3-4,6-7,13H,1,5H2,2H3.
What are the key properties of 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine?
8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine has a molecular weight of 313.14 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2-methyl-N-prop-2-enylimidazo[1,2-a]pyridin-7-amine is sourced from PubChem (CID 67377459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).