3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine

C8H9ClN2 — CID 89376150

IUPAC3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
SMILESC=C1C=CC(Cl)=NN1/C=C\C
InChIInChI=1S/C8H9ClN2/c1-3-6-11-7(2)4-5-8(9)10-11/h3-6H,2H2,1H3/b6-3-
InChIKeyOJCOQXRZVBDMJD-UTCJRWHESA-N
MW168.63 g/mol
LogP2.46
Rot. Bonds1

About 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine

3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine (PubChem CID 89376150) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
PubChem CID89376150
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine
SMILESC=C1C=CC(Cl)=NN1/C=C\C
InChIInChI=1S/C8H9ClN2/c1-3-6-11-7(2)4-5-8(9)10-11/h3-6H,2H2,1H3/b6-3-
InChIKeyOJCOQXRZVBDMJD-UTCJRWHESA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine?
The IUPAC name of 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine (CID 89376150) is 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine.
What is the SMILES notation for 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine?
The canonical SMILES for 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine is C=C1C=CC(Cl)=NN1/C=C\C.
What is the InChIKey of 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine?
The InChIKey is OJCOQXRZVBDMJD-UTCJRWHESA-N. The full InChI is InChI=1S/C8H9ClN2/c1-3-6-11-7(2)4-5-8(9)10-11/h3-6H,2H2,1H3/b6-3-.
What are the key properties of 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine?
3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine has a molecular weight of 168.63 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methylidene-1-[(Z)-prop-1-enyl]pyridazine is sourced from PubChem (CID 89376150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).