4-iodo-3H-pyridin-6-imine

C5H5IN2 — CID 135291601

IUPAC4-iodo-3H-pyridin-6-imine
SMILES[H]/N=C1/C=C(I)CC=N1
InChIInChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h2-3,7H,1H2/b7-5-
InChIKeyOKJPPDMAEAJSQO-ALCCZGGFSA-N
MW220.01 g/mol
LogP1.76
Rot. Bonds

About 4-iodo-3H-pyridin-6-imine

4-iodo-3H-pyridin-6-imine (PubChem CID 135291601) has the molecular formula C5H5IN2 and a molecular weight of 220.01 g/mol. Its IUPAC name is 4-iodo-3H-pyridin-6-imine.

Molecular Properties

Compound Name4-iodo-3H-pyridin-6-imine
PubChem CID135291601
Molecular FormulaC5H5IN2
Molecular Weight220.01 g/mol
Exact Mass219.95
IUPAC Name4-iodo-3H-pyridin-6-imine
SMILES[H]/N=C1/C=C(I)CC=N1
InChIInChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h2-3,7H,1H2/b7-5-
InChIKeyOKJPPDMAEAJSQO-ALCCZGGFSA-N
XLogP1.76
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.01
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3H-pyridin-6-imine?
The IUPAC name of 4-iodo-3H-pyridin-6-imine (CID 135291601) is 4-iodo-3H-pyridin-6-imine.
What is the SMILES notation for 4-iodo-3H-pyridin-6-imine?
The canonical SMILES for 4-iodo-3H-pyridin-6-imine is [H]/N=C1/C=C(I)CC=N1.
What is the InChIKey of 4-iodo-3H-pyridin-6-imine?
The InChIKey is OKJPPDMAEAJSQO-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H5IN2/c6-4-1-2-8-5(7)3-4/h2-3,7H,1H2/b7-5-.
What are the key properties of 4-iodo-3H-pyridin-6-imine?
4-iodo-3H-pyridin-6-imine has a molecular weight of 220.01 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3H-pyridin-6-imine is sourced from PubChem (CID 135291601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).