2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol

C23H36N6O7 — CID 157061329

IUPAC2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol
SMILESC.C.CO.Cc1ccncc1[N+](=O)[O-].Nc1cnccc1CCO.O=[N+]([O-])c1cnccc1CCO
InChIInChI=1S/C7H8N2O3.C7H10N2O.C6H6N2O2.CH4O.2CH4/c10-4-2-6-1-3-8-5-7(6)9(11)12;8-7-5-9-3-1-6(7)2-4-10;1-5-2-3-7-4-6(5)8(9)10;1-2;;/h1,3,5,10H,2,4H2;1,3,5,10H,2,4,8H2;2-4H,1H3;2H,1H3;2*1H4
InChIKeyABJDXDLVXICGRD-UHFFFAOYSA-N
MW508.58 g/mol
LogP2.90
Rot. Bonds6

About 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol

2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol (PubChem CID 157061329) has the molecular formula C23H36N6O7 and a molecular weight of 508.58 g/mol. Its IUPAC name is 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol
PubChem CID157061329
Molecular FormulaC23H36N6O7
Molecular Weight508.58 g/mol
Exact Mass508.26
IUPAC Name2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol
SMILESC.C.CO.Cc1ccncc1[N+](=O)[O-].Nc1cnccc1CCO.O=[N+]([O-])c1cnccc1CCO
InChIInChI=1S/C7H8N2O3.C7H10N2O.C6H6N2O2.CH4O.2CH4/c10-4-2-6-1-3-8-5-7(6)9(11)12;8-7-5-9-3-1-6(7)2-4-10;1-5-2-3-7-4-6(5)8(9)10;1-2;;/h1,3,5,10H,2,4H2;1,3,5,10H,2,4,8H2;2-4H,1H3;2H,1H3;2*1H4
InChIKeyABJDXDLVXICGRD-UHFFFAOYSA-N
XLogP2.90
TPSA211.66 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

ethyl formate;4-methyl-3-nitropyridine
CID 174926168
4-(2-methylpropyl)-3-nitropyridine
CID 165439022
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
2-[4-[(3-nitro-4-pyridinyl)oxy]phenyl]ethanol
CID 107709588
2-(2-chloro-5-nitro-4-pyridinyl)ethanol
CID 87350535
4-(2-aminoethyl)pyridin-3-amine
CID 55254309
2-(2-amino-4-chloro-5-nitrophenyl)ethanol
CID 11138530
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
2-(3-chloro-4-pyridinyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 115984812
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
2-amino-6-(2-hydroxyethyl)-3-nitrophenol
CID 67031897

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol?
The IUPAC name of 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol (CID 157061329) is 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol?
The canonical SMILES for 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol is C.C.CO.Cc1ccncc1[N+](=O)[O-].Nc1cnccc1CCO.O=[N+]([O-])c1cnccc1CCO.
What is the InChIKey of 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol?
The InChIKey is ABJDXDLVXICGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.C7H10N2O.C6H6N2O2.CH4O.2CH4/c10-4-2-6-1-3-8-5-7(6)9(11)12;8-7-5-9-3-1-6(7)2-4-10;1-5-2-3-7-4-6(5)8(9)10;1-2;;/h1,3,5,10H,2,4H2;1,3,5,10H,2,4,8H2;2-4H,1H3;2H,1H3;2*1H4.
What are the key properties of 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol?
2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol has a molecular weight of 508.58 g/mol, XLogP of 2.90, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-pyridinyl)ethanol;methane;methanol;4-methyl-3-nitropyridine;2-(3-nitro-4-pyridinyl)ethanol is sourced from PubChem (CID 157061329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).