2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol

C10H15N3O3 — CID 69321388

IUPAC2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-5-4-9(13(15)16)7(2)11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyAFCNAYQQVJGBKL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds5

About 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol

2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 69321388) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID69321388
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-5-4-9(13(15)16)7(2)11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyAFCNAYQQVJGBKL-UHFFFAOYSA-N
XLogP1.48
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
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'}

Analyze 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
(2R)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]hexan-1-ol
CID 11161107
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
(2R)-3-methyl-2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 11447797
3-[(6-methyl-5-nitro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
CID 103764733
N-hex-1-yn-3-yl-6-methyl-5-nitropyridin-2-amine
CID 106231548
2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 83269513
1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
CID 11436054
2-(4-methoxyphenyl)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethanol
CID 84588442
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
N-(1-ethoxypropan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712316
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol (CID 69321388) is 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol is CCC(CO)Nc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is AFCNAYQQVJGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-5-4-9(13(15)16)7(2)11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol?
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.48, 5 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]butan-1-ol is sourced from PubChem (CID 69321388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).