N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine

C11H12BrN5O2S — CID 114140159

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN5O2S/c12-9-3-1-7(20-9)5-6-14-11-8(17(18)19)2-4-10(15-11)16-13/h1-4H,5-6,13H2,(H2,14,15,16)
InChIKeyCANBACRKQFADKB-UHFFFAOYSA-N
MW358.22 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 114140159) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID114140159
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESNNc1ccc([N+](=O)[O-])c(NCCc2ccc(Br)s2)n1
InChIInChI=1S/C11H12BrN5O2S/c12-9-3-1-7(20-9)5-6-14-11-8(17(18)19)2-4-10(15-11)16-13/h1-4H,5-6,13H2,(H2,14,15,16)
InChIKeyCANBACRKQFADKB-UHFFFAOYSA-N
XLogP2.75
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
6-[2-(5-bromothiophen-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 106049011
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-4-nitropyridin-2-amine
CID 114139533
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine (CID 114140159) is N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine is NNc1ccc([N+](=O)[O-])c(NCCc2ccc(Br)s2)n1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is CANBACRKQFADKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c12-9-3-1-7(20-9)5-6-14-11-8(17(18)19)2-4-10(15-11)16-13/h1-4H,5-6,13H2,(H2,14,15,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 358.22 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 114140159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).