6-chloropyridazine-3-carboxylic acid;propane

C8H11ClN2O2 — CID 153337925

IUPAC6-chloropyridazine-3-carboxylic acid;propane
SMILESCCC.O=C(O)c1ccc(Cl)nn1
InChIInChI=1S/C5H3ClN2O2.C3H8/c6-4-2-1-3(5(9)10)7-8-4;1-3-2/h1-2H,(H,9,10);3H2,1-2H3
InChIKeyFGINTYJDDMQNFG-UHFFFAOYSA-N
MW202.64 g/mol
LogP2.24
Rot. Bonds1

About 6-chloropyridazine-3-carboxylic acid;propane

6-chloropyridazine-3-carboxylic acid;propane (PubChem CID 153337925) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 6-chloropyridazine-3-carboxylic acid;propane.

Molecular Properties

Compound Name6-chloropyridazine-3-carboxylic acid;propane
PubChem CID153337925
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name6-chloropyridazine-3-carboxylic acid;propane
SMILESCCC.O=C(O)c1ccc(Cl)nn1
InChIInChI=1S/C5H3ClN2O2.C3H8/c6-4-2-1-3(5(9)10)7-8-4;1-3-2/h1-2H,(H,9,10);3H2,1-2H3
InChIKeyFGINTYJDDMQNFG-UHFFFAOYSA-N
XLogP2.24
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloropyridazine-3-carboxylic Acid
CID 6415762
Ethyl 6-chloropyridazine-3-carboxylate
CID 10352425
Methyl 6-chloropyridazine-3-carboxylate
CID 12379801
Ethyl 4,6-dichloropyridazine-3-carboxylate
CID 53428795
Lithium 4,6-Dichloropyridazine-3-carboxylate
CID 154640671
3,6-Pyridazinedicarboxylic acid
CID 300317
6-Methylpyridazine-3-carboxylic acid
CID 13555893
Methyl 4,6-dichloropyridazine-3-carboxylate
CID 17848322
5-Chloropyridazine-3-carboxylic acid
CID 19792063
6-Chloro-5-methylpyridazine-3-carboxylic acid
CID 83635815
Methyl 6-chloro-4-methylpyridazine-3-carboxylate
CID 135392320
4,6-Dichloro-pyridazine-3-carboxylic acid lithium salt monohydrate
CID 154791965

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridazine-3-carboxylic acid;propane?
The IUPAC name of 6-chloropyridazine-3-carboxylic acid;propane (CID 153337925) is 6-chloropyridazine-3-carboxylic acid;propane.
What is the SMILES notation for 6-chloropyridazine-3-carboxylic acid;propane?
The canonical SMILES for 6-chloropyridazine-3-carboxylic acid;propane is CCC.O=C(O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloropyridazine-3-carboxylic acid;propane?
The InChIKey is FGINTYJDDMQNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2.C3H8/c6-4-2-1-3(5(9)10)7-8-4;1-3-2/h1-2H,(H,9,10);3H2,1-2H3.
What are the key properties of 6-chloropyridazine-3-carboxylic acid;propane?
6-chloropyridazine-3-carboxylic acid;propane has a molecular weight of 202.64 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridazine-3-carboxylic acid;propane is sourced from PubChem (CID 153337925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).