3-iodopyridin-2-amine

C5H5IN2 — CID 2763151

IUPAC3-iodopyridin-2-amine
SMILESNc1ncccc1I
InChIInChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKeyUUDNBWSHTUFGDQ-UHFFFAOYSA-N
MW220.01 g/mol
LogP1.27
Rot. Bonds

About 3-iodopyridin-2-amine

3-iodopyridin-2-amine (PubChem CID 2763151) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 3-iodopyridin-2-amine.

Molecular Properties

Compound Name3-iodopyridin-2-amine
PubChem CID2763151
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name3-iodopyridin-2-amine
SMILESNc1ncccc1I
InChIInChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8)
InChIKeyUUDNBWSHTUFGDQ-UHFFFAOYSA-N
XLogP1.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.27
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 3-iodopyridin-2-amine?
The IUPAC name of 3-iodopyridin-2-amine (CID 2763151) is 3-iodopyridin-2-amine.
What is the SMILES notation for 3-iodopyridin-2-amine?
The canonical SMILES for 3-iodopyridin-2-amine is Nc1ncccc1I.
What is the InChIKey of 3-iodopyridin-2-amine?
The InChIKey is UUDNBWSHTUFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2/c6-4-2-1-3-8-5(4)7/h1-3H,(H2,7,8).
What are the key properties of 3-iodopyridin-2-amine?
3-iodopyridin-2-amine has a molecular weight of 220.01 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyridin-2-amine is sourced from PubChem (CID 2763151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).