methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate

C9H13N5O4 — CID 80899106

IUPACmethyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O4/c1-18-8(15)4-5-11-9-6(14(16)17)2-3-7(12-9)13-10/h2-3H,4-5,10H2,1H3,(H2,11,12,13)
InChIKeyTZUJLELXXDRBBU-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.25
Rot. Bonds6

About methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate

methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate (PubChem CID 80899106) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
PubChem CID80899106
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Namemethyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)CCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O4/c1-18-8(15)4-5-11-9-6(14(16)17)2-3-7(12-9)13-10/h2-3H,4-5,10H2,1H3,(H2,11,12,13)
InChIKeyTZUJLELXXDRBBU-UHFFFAOYSA-N
XLogP0.25
TPSA132.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244
ethyl 2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetate
CID 80789885
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate (CID 80899106) is methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate is COC(=O)CCNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate?
The InChIKey is TZUJLELXXDRBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c1-18-8(15)4-5-11-9-6(14(16)17)2-3-7(12-9)13-10/h2-3H,4-5,10H2,1H3,(H2,11,12,13).
What are the key properties of methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate?
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate has a molecular weight of 255.23 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 80899106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).