N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine

C13H13BrCl2N4 — CID 107581024

IUPACN-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESCc1cc(Nc2nc(NN)c(Cl)cc2Cl)cc(C)c1Br
InChIInChI=1S/C13H13BrCl2N4/c1-6-3-8(4-7(2)11(6)14)18-12-9(15)5-10(16)13(19-12)20-17/h3-5H,17H2,1-2H3,(H2,18,19,20)
InChIKeyZANKQCNPAQCGEK-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.80
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine

N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (PubChem CID 107581024) has the molecular formula C13H13BrCl2N4 and a molecular weight of 376.09 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
PubChem CID107581024
Molecular FormulaC13H13BrCl2N4
Molecular Weight376.09 g/mol
Exact Mass373.97
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESCc1cc(Nc2nc(NN)c(Cl)cc2Cl)cc(C)c1Br
InChIInChI=1S/C13H13BrCl2N4/c1-6-3-8(4-7(2)11(6)14)18-12-9(15)5-10(16)13(19-12)20-17/h3-5H,17H2,1-2H3,(H2,18,19,20)
InChIKeyZANKQCNPAQCGEK-UHFFFAOYSA-N
XLogP4.80
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-(4-chlorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762339
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
3,5-dichloro-N-(2-chloro-6-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 102762246
3,5-dichloro-6-hydrazinyl-N-(5-iodo-2-methylphenyl)pyridin-2-amine
CID 114258206
3,5-dichloro-6-hydrazinyl-N-(3-iodophenyl)pyridin-2-amine
CID 102762322
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102761817
3,5-dichloro-N-(2,6-dichloro-4-fluorophenyl)-6-hydrazinylpyridin-2-amine
CID 102762509
2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103
4-N-(4-bromo-3,5-dimethylphenyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 107580689
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170
3,5-dichloro-6-hydrazinyl-N-(2,4,6-trifluorophenyl)pyridin-2-amine
CID 102762228

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (CID 107581024) is N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is Cc1cc(Nc2nc(NN)c(Cl)cc2Cl)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The InChIKey is ZANKQCNPAQCGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N4/c1-6-3-8(4-7(2)11(6)14)18-12-9(15)5-10(16)13(19-12)20-17/h3-5H,17H2,1-2H3,(H2,18,19,20).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine has a molecular weight of 376.09 g/mol, XLogP of 4.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 107581024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).