3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine

C12H9Cl2FN2 — CID 115504711

IUPAC3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(-c2cc(F)cc(Cl)c2)c1C
InChIInChI=1S/C12H9Cl2FN2/c1-6-7(2)12(14)17-16-11(6)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3
InChIKeyCEXBAZLFDAOROD-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.21
Rot. Bonds1

About 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine

3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine (PubChem CID 115504711) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
PubChem CID115504711
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(-c2cc(F)cc(Cl)c2)c1C
InChIInChI=1S/C12H9Cl2FN2/c1-6-7(2)12(14)17-16-11(6)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3
InChIKeyCEXBAZLFDAOROD-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-(3-chloro-5-fluorophenyl)-5-methylpyrimidin-4-amine
CID 115504863
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
CID 172876806
3-(3-chloro-5-fluorophenyl)pyrazin-2-amine
CID 115504800
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169285
1-chloro-3,5-difluorobenzene
CID 159732874
6-(3-chloro-5-fluorophenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 113324856
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
4-chloro-6-(3-chloro-5-fluorophenyl)pyrimidine
CID 24902118
2-(3-chloro-5-fluorophenyl)-4-fluoropyridine
CID 102824538
2-chloro-3-(3-fluoro-5-methylphenyl)pyrazine
CID 79691462
3-(3-chloro-5-fluorophenyl)-5-fluoro-4-methylbenzoic acid
CID 176508653

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine (CID 115504711) is 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(-c2cc(F)cc(Cl)c2)c1C.
What is the InChIKey of 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine?
The InChIKey is CEXBAZLFDAOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-6-7(2)12(14)17-16-11(6)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine?
3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine has a molecular weight of 271.12 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-chloro-5-fluorophenyl)-4,5-dimethylpyridazine is sourced from PubChem (CID 115504711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).