2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol

C8H11N3O3 — CID 11217825

IUPAC2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCc1nc(NCCO)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6-7(11(13)14)2-3-8(10-6)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)
InChIKeyWYUTXNFESDNMQU-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.70
Rot. Bonds4

About 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol

2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol (PubChem CID 11217825) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
PubChem CID11217825
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
SMILESCc1nc(NCCO)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c1-6-7(11(13)14)2-3-8(10-6)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10)
InChIKeyWYUTXNFESDNMQU-UHFFFAOYSA-N
XLogP0.70
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol (CID 11217825) is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol is Cc1nc(NCCO)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is WYUTXNFESDNMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-6-7(11(13)14)2-3-8(10-6)9-4-5-12/h2-3,12H,4-5H2,1H3,(H,9,10).
What are the key properties of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol?
2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol has a molecular weight of 197.19 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 11217825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).