4-ethenyl-3-iodopyridin-2-amine

C7H7IN2 — CID 90182676

IUPAC4-ethenyl-3-iodopyridin-2-amine
SMILESC=Cc1ccnc(N)c1I
InChIInChI=1S/C7H7IN2/c1-2-5-3-4-10-7(9)6(5)8/h2-4H,1H2,(H2,9,10)
InChIKeyYCPHIBWVZJGAAW-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.91
Rot. Bonds1

About 4-ethenyl-3-iodopyridin-2-amine

4-ethenyl-3-iodopyridin-2-amine (PubChem CID 90182676) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 4-ethenyl-3-iodopyridin-2-amine.

Molecular Properties

Compound Name4-ethenyl-3-iodopyridin-2-amine
PubChem CID90182676
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name4-ethenyl-3-iodopyridin-2-amine
SMILESC=Cc1ccnc(N)c1I
InChIInChI=1S/C7H7IN2/c1-2-5-3-4-10-7(9)6(5)8/h2-4H,1H2,(H2,9,10)
InChIKeyYCPHIBWVZJGAAW-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 4-ethenyl-3-iodopyridin-2-amine?
The IUPAC name of 4-ethenyl-3-iodopyridin-2-amine (CID 90182676) is 4-ethenyl-3-iodopyridin-2-amine.
What is the SMILES notation for 4-ethenyl-3-iodopyridin-2-amine?
The canonical SMILES for 4-ethenyl-3-iodopyridin-2-amine is C=Cc1ccnc(N)c1I.
What is the InChIKey of 4-ethenyl-3-iodopyridin-2-amine?
The InChIKey is YCPHIBWVZJGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2/c1-2-5-3-4-10-7(9)6(5)8/h2-4H,1H2,(H2,9,10).
What are the key properties of 4-ethenyl-3-iodopyridin-2-amine?
4-ethenyl-3-iodopyridin-2-amine has a molecular weight of 246.05 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-iodopyridin-2-amine is sourced from PubChem (CID 90182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).