3-chloro-5-cyclopropylpyridazine

C7H7ClN2 — CID 118611458

IUPAC3-chloro-5-cyclopropylpyridazine
SMILESClc1cc(C2CC2)cnn1
InChIInChI=1S/C7H7ClN2/c8-7-3-6(4-9-10-7)5-1-2-5/h3-5H,1-2H2
InChIKeyWLCMHBMBODCJME-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.01
Rot. Bonds1

About 3-chloro-5-cyclopropylpyridazine

3-chloro-5-cyclopropylpyridazine (PubChem CID 118611458) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 3-chloro-5-cyclopropylpyridazine.

Molecular Properties

Compound Name3-chloro-5-cyclopropylpyridazine
PubChem CID118611458
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name3-chloro-5-cyclopropylpyridazine
SMILESClc1cc(C2CC2)cnn1
InChIInChI=1S/C7H7ClN2/c8-7-3-6(4-9-10-7)5-1-2-5/h3-5H,1-2H2
InChIKeyWLCMHBMBODCJME-UHFFFAOYSA-N
XLogP2.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyclopropylpyridazine?
The IUPAC name of 3-chloro-5-cyclopropylpyridazine (CID 118611458) is 3-chloro-5-cyclopropylpyridazine.
What is the SMILES notation for 3-chloro-5-cyclopropylpyridazine?
The canonical SMILES for 3-chloro-5-cyclopropylpyridazine is Clc1cc(C2CC2)cnn1.
What is the InChIKey of 3-chloro-5-cyclopropylpyridazine?
The InChIKey is WLCMHBMBODCJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-7-3-6(4-9-10-7)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 3-chloro-5-cyclopropylpyridazine?
3-chloro-5-cyclopropylpyridazine has a molecular weight of 154.60 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropylpyridazine is sourced from PubChem (CID 118611458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).