2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol

C8H11N3O3 — CID 65439508

IUPAC2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1cnc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C8H11N3O3/c1-6-4-7(11(13)14)8(10-5-6)9-2-3-12/h4-5,12H,2-3H2,1H3,(H,9,10)
InChIKeyBTEUCDICZOBEGM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.70
Rot. Bonds4

About 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol

2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol (PubChem CID 65439508) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
PubChem CID65439508
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
SMILESCc1cnc(NCCO)c([N+](=O)[O-])c1
InChIInChI=1S/C8H11N3O3/c1-6-4-7(11(13)14)8(10-5-6)9-2-3-12/h4-5,12H,2-3H2,1H3,(H,9,10)
InChIKeyBTEUCDICZOBEGM-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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Related Compounds

4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-methyl-3-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridin-2-amine
CID 106404269
N-benzyl-5-methyl-3-nitropyridin-2-amine
CID 24903143
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 115658747
N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The IUPAC name of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol (CID 65439508) is 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol.
What is the SMILES notation for 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The canonical SMILES for 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol is Cc1cnc(NCCO)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol?
The InChIKey is BTEUCDICZOBEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-6-4-7(11(13)14)8(10-5-6)9-2-3-12/h4-5,12H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol?
2-[(5-methyl-3-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-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol is sourced from PubChem (CID 65439508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).