2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine

C9H9ClN2 — CID 123565472

IUPAC2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine
SMILESCC1=C2C=CC(Cl)=NN2C=CC1
InChIInChI=1S/C9H9ClN2/c1-7-3-2-6-12-8(7)4-5-9(10)11-12/h2,4-6H,3H2,1H3
InChIKeyZSSCUOWJVIRXBA-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.60
Rot. Bonds

About 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine

2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine (PubChem CID 123565472) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine
PubChem CID123565472
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine
SMILESCC1=C2C=CC(Cl)=NN2C=CC1
InChIInChI=1S/C9H9ClN2/c1-7-3-2-6-12-8(7)4-5-9(10)11-12/h2,4-6H,3H2,1H3
InChIKeyZSSCUOWJVIRXBA-UHFFFAOYSA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
CID 89088583
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
2-Chloro-7-methyl-6,7-dihydropyridazino[1,6-a]azepine
CID 123682772
2-chloro-N-(4-methylhepta-1,4,6-trien-3-ylideneamino)-N-prop-1-en-2-ylprop-1-en-1-amine
CID 123884752
4-Propan-2-ylpyrido[1,2-b]pyridazine
CID 131990524
2-methyl-3H-pyrido[1,2-b]pyridazine
CID 143334482
6,6-Dimethylpyrido[1,2-b]pyridazine
CID 143411802
3-chloro-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazine;ethane
CID 144433308
2-Chloro-4,7,8-trimethyl-6,7-dihydropyridazino[1,6-a]azepine
CID 153383115
4-methyl-3H-pyrido[1,2-b]pyridazine
CID 155111801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine?
The IUPAC name of 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine (CID 123565472) is 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine.
What is the SMILES notation for 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine?
The canonical SMILES for 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine is CC1=C2C=CC(Cl)=NN2C=CC1.
What is the InChIKey of 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine?
The InChIKey is ZSSCUOWJVIRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-7-3-2-6-12-8(7)4-5-9(10)11-12/h2,4-6H,3H2,1H3.
What are the key properties of 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine?
2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine has a molecular weight of 180.64 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-6H-pyrido[1,2-b]pyridazine is sourced from PubChem (CID 123565472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).