3-iodopyridazine

C4H3IN2 — CID 11298682

IUPAC3-iodopyridazine
SMILESIc1cccnn1
InChIInChI=1S/C4H3IN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyNNXBSBHTRNCQQS-UHFFFAOYSA-N
MW205.99 g/mol
LogP1.08
Rot. Bonds

About 3-iodopyridazine

3-iodopyridazine (PubChem CID 11298682) has the molecular formula C4H3IN2 and a molecular weight of 205.99 g/mol. Its IUPAC name is 3-iodopyridazine.

Molecular Properties

Compound Name3-iodopyridazine
PubChem CID11298682
Molecular FormulaC4H3IN2
Molecular Weight205.99 g/mol
Exact Mass205.93
IUPAC Name3-iodopyridazine
SMILESIc1cccnn1
InChIInChI=1S/C4H3IN2/c5-4-2-1-3-6-7-4/h1-3H
InChIKeyNNXBSBHTRNCQQS-UHFFFAOYSA-N
XLogP1.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.99
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyridazine
CID 9259
4-Methylpyridazine
CID 136882
4-Pyridazinemethanamine
CID 15034997
3-Chloropyridazine
CID 11274989
3,6-Diiodopyridazine
CID 250383
3-Bromopyridazine
CID 13126699
Pyridazine 1-oxide
CID 137016
3-(Tributylstannanyl)pyridazine
CID 2763260
4-(Tributylstannyl)pyridazine
CID 6409733
Pyridazine-4-carbonitrile
CID 15781246
4-Bromopyridazine
CID 17888927
3-Fluoropyridazine
CID 18987697

Frequently Asked Questions

What is the IUPAC name of 3-iodopyridazine?
The IUPAC name of 3-iodopyridazine (CID 11298682) is 3-iodopyridazine.
What is the SMILES notation for 3-iodopyridazine?
The canonical SMILES for 3-iodopyridazine is Ic1cccnn1.
What is the InChIKey of 3-iodopyridazine?
The InChIKey is NNXBSBHTRNCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IN2/c5-4-2-1-3-6-7-4/h1-3H.
What are the key properties of 3-iodopyridazine?
3-iodopyridazine has a molecular weight of 205.99 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodopyridazine is sourced from PubChem (CID 11298682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).