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

C9H13N3O3 — CID 81137666

IUPAC2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1ccc([N+](=O)[O-])c(N(C)CCO)n1
InChIInChI=1S/C9H13N3O3/c1-7-3-4-8(12(14)15)9(10-7)11(2)5-6-13/h3-4,13H,5-6H2,1-2H3
InChIKeyJSTVOYCBWCVFNC-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.73
Rot. Bonds4

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

2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 81137666) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID81137666
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1ccc([N+](=O)[O-])c(N(C)CCO)n1
InChIInChI=1S/C9H13N3O3/c1-7-3-4-8(12(14)15)9(10-7)11(2)5-6-13/h3-4,13H,5-6H2,1-2H3
InChIKeyJSTVOYCBWCVFNC-UHFFFAOYSA-N
XLogP0.73
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]propanenitrile
CID 81132027
methyl 4-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]butanoate
CID 81136505
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,6-dimethyl-3-nitropyridin-2-amine
CID 141449791
N-butyl-6-chloro-N-methyl-3-nitropyridin-2-amine
CID 43152647
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907
3-[(6-methyl-3-nitro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 81132260
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
4-[(6-methoxy-3-nitro-2-pyridinyl)-methylamino]butan-2-ol
CID 113252246
N'-benzyl-N'-(6-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511752
4-N-methyl-4-N-(6-methyl-3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 81136058
3-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]propan-1-ol
CID 81136184

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol (CID 81137666) is 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol is Cc1ccc([N+](=O)[O-])c(N(C)CCO)n1.
What is the InChIKey of 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is JSTVOYCBWCVFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-7-3-4-8(12(14)15)9(10-7)11(2)5-6-13/h3-4,13H,5-6H2,1-2H3.
What are the key properties of 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol?
2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 211.22 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 81137666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).