iodo 6-fluoropyridazine-3-carboxylate

C5H2FIN2O2 — CID 147650943

IUPACiodo 6-fluoropyridazine-3-carboxylate
SMILESO=C(OI)c1ccc(F)nn1
InChIInChI=1S/C5H2FIN2O2/c6-4-2-1-3(8-9-4)5(10)11-7/h1-2H
InChIKeyGJMCZHGISPWVPC-UHFFFAOYSA-N
MW267.99 g/mol
LogP1.12
Rot. Bonds1

About iodo 6-fluoropyridazine-3-carboxylate

iodo 6-fluoropyridazine-3-carboxylate (PubChem CID 147650943) has the molecular formula C5H2FIN2O2 and a molecular weight of 267.99 g/mol. Its IUPAC name is iodo 6-fluoropyridazine-3-carboxylate.

Molecular Properties

Compound Nameiodo 6-fluoropyridazine-3-carboxylate
PubChem CID147650943
Molecular FormulaC5H2FIN2O2
Molecular Weight267.99 g/mol
Exact Mass267.91
IUPAC Nameiodo 6-fluoropyridazine-3-carboxylate
SMILESO=C(OI)c1ccc(F)nn1
InChIInChI=1S/C5H2FIN2O2/c6-4-2-1-3(8-9-4)5(10)11-7/h1-2H
InChIKeyGJMCZHGISPWVPC-UHFFFAOYSA-N
XLogP1.12
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.99
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyridazine-3-carboxylic acid
CID 269369
6-chloropyridazine-3-carboxylic Acid
CID 6415762
6-bromopyridazine-3-carboxylic Acid
CID 6409849
Lithium 4,6-Dichloropyridazine-3-carboxylate
CID 154640671
3,6-Pyridazinedicarboxylic acid
CID 300317
Methyl 6-fluoropyridazine-3-carboxylate
CID 12379810
6-Methylpyridazine-3-carboxylic acid
CID 13555893
6-(Trifluoromethyl)pyridazine-3-carboxylic acid
CID 58126820
4,6-Dichloro-pyridazine-3-carboxylic acid lithium salt monohydrate
CID 154791965
Lithium(1+) 4-(trifluoromethyl)pyridazine-3-carboxylate
CID 165703151
Potassium 6-(methoxycarbonyl)pyridazine-3-carboxylate
CID 167735182
Methyl 6-methylpyridazine-3-carboxylate
CID 13555894

Frequently Asked Questions

What is the IUPAC name of iodo 6-fluoropyridazine-3-carboxylate?
The IUPAC name of iodo 6-fluoropyridazine-3-carboxylate (CID 147650943) is iodo 6-fluoropyridazine-3-carboxylate.
What is the SMILES notation for iodo 6-fluoropyridazine-3-carboxylate?
The canonical SMILES for iodo 6-fluoropyridazine-3-carboxylate is O=C(OI)c1ccc(F)nn1.
What is the InChIKey of iodo 6-fluoropyridazine-3-carboxylate?
The InChIKey is GJMCZHGISPWVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FIN2O2/c6-4-2-1-3(8-9-4)5(10)11-7/h1-2H.
What are the key properties of iodo 6-fluoropyridazine-3-carboxylate?
iodo 6-fluoropyridazine-3-carboxylate has a molecular weight of 267.99 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 6-fluoropyridazine-3-carboxylate is sourced from PubChem (CID 147650943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).