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

C12H11BrCl2N4O — CID 102761817

IUPACN-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESCOc1ccc(Br)cc1Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H11BrCl2N4O/c1-20-10-3-2-6(13)4-9(10)17-11-7(14)5-8(15)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKeyAGJQMLNJQNNDIX-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.19
Rot. Bonds4

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

N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (PubChem CID 102761817) has the molecular formula C12H11BrCl2N4O and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
PubChem CID102761817
Molecular FormulaC12H11BrCl2N4O
Molecular Weight378.06 g/mol
Exact Mass375.95
IUPAC NameN-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
SMILESCOc1ccc(Br)cc1Nc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C12H11BrCl2N4O/c1-20-10-3-2-6(13)4-9(10)17-11-7(14)5-8(15)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19)
InChIKeyAGJQMLNJQNNDIX-UHFFFAOYSA-N
XLogP4.19
TPSA72.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-hydrazinyl-N-(2-methoxy-5-methylphenyl)pyridin-2-amine
CID 102762320
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
6-N-(5-bromo-2-chlorophenyl)-3,5-dichloro-2-N-methylpyridine-2,6-diamine
CID 102758019
N-(2-bromo-5-methylphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine
CID 102762492
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
3,5-dichloro-2-N-ethyl-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-diamine
CID 102754963
4-(5-bromo-2-methoxyanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 80732122
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine (CID 102761817) is N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is COc1ccc(Br)cc1Nc1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
The InChIKey is AGJQMLNJQNNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N4O/c1-20-10-3-2-6(13)4-9(10)17-11-7(14)5-8(15)12(18-11)19-16/h2-5H,16H2,1H3,(H2,17,18,19).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine?
N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine has a molecular weight of 378.06 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-3,5-dichloro-6-hydrazinylpyridin-2-amine is sourced from PubChem (CID 102761817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).