N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine

C12H10BrCl2N3 — CID 103480984

IUPACN-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2cccc(Cl)c2Br)c1C
InChIInChI=1S/C12H10BrCl2N3/c1-6-7(2)12(18-17-11(6)15)16-9-5-3-4-8(14)10(9)13/h3-5H,1-2H3,(H,16,18)
InChIKeyMELFPUGNRFKZMG-UHFFFAOYSA-N
MW347.04 g/mol
LogP4.91
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine

N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine (PubChem CID 103480984) has the molecular formula C12H10BrCl2N3 and a molecular weight of 347.04 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
PubChem CID103480984
Molecular FormulaC12H10BrCl2N3
Molecular Weight347.04 g/mol
Exact Mass344.94
IUPAC NameN-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2cccc(Cl)c2Br)c1C
InChIInChI=1S/C12H10BrCl2N3/c1-6-7(2)12(18-17-11(6)15)16-9-5-3-4-8(14)10(9)13/h3-5H,1-2H3,(H,16,18)
InChIKeyMELFPUGNRFKZMG-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.04
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-chlorophenyl)-4-chlorophthalazin-1-amine
CID 103480989
N-(2-bromo-3-chlorophenyl)-3,6-dichloro-1,2,4-triazin-5-amine
CID 103481035
5-bromo-N-(2-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 103481305
6-chloro-N-(4-chloro-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 114256276
3-bromo-N-(2-bromo-3-chlorophenyl)pyridin-2-amine
CID 103481300
6-chloro-N-(2,4-difluorophenyl)-4,5-dimethylpyridazin-3-amine
CID 55169284
3-(2-bromo-3-chloroanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 103479532
4-N-(2-bromo-3-chlorophenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 103481929
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 103481040
6-chloro-N-(4-methoxy-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 63272259
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethylpyridazin-3-amine
CID 63271923
N-(2-bromo-3-chlorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103482018

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine (CID 103480984) is N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(Nc2cccc(Cl)c2Br)c1C.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
The InChIKey is MELFPUGNRFKZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3/c1-6-7(2)12(18-17-11(6)15)16-9-5-3-4-8(14)10(9)13/h3-5H,1-2H3,(H,16,18).
What are the key properties of N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine?
N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine has a molecular weight of 347.04 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-6-chloro-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 103480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).