N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine

C12H12BrN5O2 — CID 114071438

IUPACN-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN5O2/c13-10-4-2-1-3-8(10)7-15-11-5-9(18(19)20)6-12(16-11)17-14/h1-6H,7,14H2,(H2,15,16,17)
InChIKeyXYPZMCGKGOPGSG-UHFFFAOYSA-N
MW338.17 g/mol
LogP2.65
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine

N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine (PubChem CID 114071438) has the molecular formula C12H12BrN5O2 and a molecular weight of 338.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
PubChem CID114071438
Molecular FormulaC12H12BrN5O2
Molecular Weight338.17 g/mol
Exact Mass337.02
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
SMILESNNc1cc([N+](=O)[O-])cc(NCc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN5O2/c13-10-4-2-1-3-8(10)7-15-11-5-9(18(19)20)6-12(16-11)17-14/h1-6H,7,14H2,(H2,15,16,17)
InChIKeyXYPZMCGKGOPGSG-UHFFFAOYSA-N
XLogP2.65
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
N-[(2-bromophenyl)methyl]-4-nitroaniline
CID 43425349
2-bromo-N-[(2-bromophenyl)methyl]-4-nitroaniline
CID 43742303
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine
CID 106379059
6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114071530
N-[(2-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80898932
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)methanamine
CID 61401551
N-[(2-bromophenyl)methyl]-2-fluoro-6-nitroaniline
CID 81309795
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
N-[(2-bromo-4-nitrophenyl)methyl]-2-ethylaniline
CID 60792155
6-bromo-N-[(2-bromophenyl)methyl]pyridin-2-amine
CID 63962154

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine (CID 114071438) is N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine is NNc1cc([N+](=O)[O-])cc(NCc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine?
The InChIKey is XYPZMCGKGOPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5O2/c13-10-4-2-1-3-8(10)7-15-11-5-9(18(19)20)6-12(16-11)17-14/h1-6H,7,14H2,(H2,15,16,17).
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine?
N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine has a molecular weight of 338.17 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-hydrazinyl-4-nitropyridin-2-amine is sourced from PubChem (CID 114071438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).