5-chloro-3-iodo-2H-pyridin-3-amine

C5H6ClIN2 — CID 71059900

IUPAC5-chloro-3-iodo-2H-pyridin-3-amine
SMILESNC1(I)C=C(Cl)C=NC1
InChIInChI=1S/C5H6ClIN2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2
InChIKeyMCCBLKVRAPJCJV-UHFFFAOYSA-N
MW256.47 g/mol
LogP1.28
Rot. Bonds

About 5-chloro-3-iodo-2H-pyridin-3-amine

5-chloro-3-iodo-2H-pyridin-3-amine (PubChem CID 71059900) has the molecular formula C5H6ClIN2 and a molecular weight of 256.47 g/mol. Its IUPAC name is 5-chloro-3-iodo-2H-pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-3-iodo-2H-pyridin-3-amine
PubChem CID71059900
Molecular FormulaC5H6ClIN2
Molecular Weight256.47 g/mol
Exact Mass255.93
IUPAC Name5-chloro-3-iodo-2H-pyridin-3-amine
SMILESNC1(I)C=C(Cl)C=NC1
InChIInChI=1S/C5H6ClIN2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2
InChIKeyMCCBLKVRAPJCJV-UHFFFAOYSA-N
XLogP1.28
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-2H-pyridin-3-amine?
The IUPAC name of 5-chloro-3-iodo-2H-pyridin-3-amine (CID 71059900) is 5-chloro-3-iodo-2H-pyridin-3-amine.
What is the SMILES notation for 5-chloro-3-iodo-2H-pyridin-3-amine?
The canonical SMILES for 5-chloro-3-iodo-2H-pyridin-3-amine is NC1(I)C=C(Cl)C=NC1.
What is the InChIKey of 5-chloro-3-iodo-2H-pyridin-3-amine?
The InChIKey is MCCBLKVRAPJCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClIN2/c6-4-1-5(7,8)3-9-2-4/h1-2H,3,8H2.
What are the key properties of 5-chloro-3-iodo-2H-pyridin-3-amine?
5-chloro-3-iodo-2H-pyridin-3-amine has a molecular weight of 256.47 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-2H-pyridin-3-amine is sourced from PubChem (CID 71059900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).