N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine

C13H14BrN5O2 — CID 80899980

IUPACN-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14BrN5O2/c1-18(8-9-4-2-3-5-10(9)14)13-11(19(20)21)6-7-12(16-13)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyHTPSWSMHYQQKET-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.67
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine

N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine (PubChem CID 80899980) has the molecular formula C13H14BrN5O2 and a molecular weight of 352.19 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
PubChem CID80899980
Molecular FormulaC13H14BrN5O2
Molecular Weight352.19 g/mol
Exact Mass351.03
IUPAC NameN-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
SMILESCN(Cc1ccccc1Br)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H14BrN5O2/c1-18(8-9-4-2-3-5-10(9)14)13-11(19(20)21)6-7-12(16-13)17-15/h2-7H,8,15H2,1H3,(H,16,17)
InChIKeyHTPSWSMHYQQKET-UHFFFAOYSA-N
XLogP2.67
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.67
H-Bond Donors ≤ 52
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-N-methyl-5-nitropyrimidin-4-amine
CID 80899819
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 80894166
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
CID 80929654
2-N-[(4-bromophenyl)methyl]-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80777619
N-[(2-bromophenyl)methyl]-3-iodo-N-methyl-4-nitroaniline
CID 106494149
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-2-nitroaniline
CID 63462025
N-[(2-bromophenyl)methyl]-3-chloro-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62247706
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
6-N-ethyl-2-N-methyl-3-nitro-2-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 80774376
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine (CID 80899980) is N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine is CN(Cc1ccccc1Br)c1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine?
The InChIKey is HTPSWSMHYQQKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN5O2/c1-18(8-9-4-2-3-5-10(9)14)13-11(19(20)21)6-7-12(16-13)17-15/h2-7H,8,15H2,1H3,(H,16,17).
What are the key properties of N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine?
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine has a molecular weight of 352.19 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80899980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).