6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine

C12H11ClFN3 — CID 116973165

IUPAC6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2cc(F)c(C)cc2Cl)nn1
InChIInChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-12(15-2)17-16-11/h3-6H,1-2H3,(H,15,17)
InChIKeyZDGWHWJMLNXLAI-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.29
Rot. Bonds2

About 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine

6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine (PubChem CID 116973165) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine.

Molecular Properties

Compound Name6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine
PubChem CID116973165
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine
SMILESCNc1ccc(-c2cc(F)c(C)cc2Cl)nn1
InChIInChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-12(15-2)17-16-11/h3-6H,1-2H3,(H,15,17)
InChIKeyZDGWHWJMLNXLAI-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-chlorophenyl)-N-methylpyridazin-3-amine
CID 82779563
4-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900585
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
CID 116897024
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
6-(3-bromo-4-fluorophenyl)-N-methylpyridazin-3-amine
CID 62914654
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
CID 107290472
5-(2,6-difluoro-4-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
CID 155041705
6-(2,4-dichlorophenyl)-N-propylpyridazin-3-amine
CID 55138294
4-(2-chloro-5-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 116894823
5-(2-chloro-5-fluoro-4-methylphenyl)-2-fluoropyridine
CID 170620232

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine?
The IUPAC name of 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine (CID 116973165) is 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine.
What is the SMILES notation for 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine?
The canonical SMILES for 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine is CNc1ccc(-c2cc(F)c(C)cc2Cl)nn1.
What is the InChIKey of 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine?
The InChIKey is ZDGWHWJMLNXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-5-9(13)8(6-10(7)14)11-3-4-12(15-2)17-16-11/h3-6H,1-2H3,(H,15,17).
What are the key properties of 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine?
6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine has a molecular weight of 251.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpyridazin-3-amine is sourced from PubChem (CID 116973165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).