5-chloro-3-(3-methylphenyl)pyridazine

C11H9ClN2 — CID 117106953

IUPAC5-chloro-3-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2cc(Cl)cnn2)c1
InChIInChI=1S/C11H9ClN2/c1-8-3-2-4-9(5-8)11-6-10(12)7-13-14-11/h2-7H,1H3
InChIKeyWJFIMVCBAGRZEL-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.11
Rot. Bonds1

About 5-chloro-3-(3-methylphenyl)pyridazine

5-chloro-3-(3-methylphenyl)pyridazine (PubChem CID 117106953) has the molecular formula C11H9ClN2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-chloro-3-(3-methylphenyl)pyridazine.

Molecular Properties

Compound Name5-chloro-3-(3-methylphenyl)pyridazine
PubChem CID117106953
Molecular FormulaC11H9ClN2
Molecular Weight204.66 g/mol
Exact Mass204.05
IUPAC Name5-chloro-3-(3-methylphenyl)pyridazine
SMILESCc1cccc(-c2cc(Cl)cnn2)c1
InChIInChI=1S/C11H9ClN2/c1-8-3-2-4-9(5-8)11-6-10(12)7-13-14-11/h2-7H,1H3
InChIKeyWJFIMVCBAGRZEL-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(3-fluorophenyl)pyridazine
CID 117106965
3-chloro-4-methyl-6-(3-methylphenyl)pyridazine
CID 14450223
4-chloro-6-(3-methylphenyl)pyridazin-3-amine
CID 117106954
5-(3-methylphenyl)-1,2,4-triazine-3-carbaldehyde
CID 105451996
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
methane;5-methyl-3-(3-methylphenyl)-1,2-oxazole
CID 161177844
4-(3-methylphenyl)thiadiazole
CID 59767702
5-(1-chloroethyl)-3-(3-methylphenyl)-1,2-oxazole
CID 134528371
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
CID 66316828
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
trimethyl-[6-(3-methylphenyl)-3-pyridinyl]silane
CID 166573501

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-methylphenyl)pyridazine?
The IUPAC name of 5-chloro-3-(3-methylphenyl)pyridazine (CID 117106953) is 5-chloro-3-(3-methylphenyl)pyridazine.
What is the SMILES notation for 5-chloro-3-(3-methylphenyl)pyridazine?
The canonical SMILES for 5-chloro-3-(3-methylphenyl)pyridazine is Cc1cccc(-c2cc(Cl)cnn2)c1.
What is the InChIKey of 5-chloro-3-(3-methylphenyl)pyridazine?
The InChIKey is WJFIMVCBAGRZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2/c1-8-3-2-4-9(5-8)11-6-10(12)7-13-14-11/h2-7H,1H3.
What are the key properties of 5-chloro-3-(3-methylphenyl)pyridazine?
5-chloro-3-(3-methylphenyl)pyridazine has a molecular weight of 204.66 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-methylphenyl)pyridazine is sourced from PubChem (CID 117106953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).