2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol

C10H15N3O3 — CID 83269513

IUPAC2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-4-9(13(15)16)7(2)5-11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyAQEDTTJGTIFGEY-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds5

About 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol

2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol (PubChem CID 83269513) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
PubChem CID83269513
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
SMILESCCC(CO)Nc1cc([N+](=O)[O-])c(C)cn1
InChIInChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-4-9(13(15)16)7(2)5-11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyAQEDTTJGTIFGEY-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'}

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Related Compounds

5-methyl-4-nitro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231283
4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 79173544
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 113420641
N-(1-cyclopropylbutan-2-yl)-4-methyl-5-nitropyridin-2-amine
CID 79175938
2-ethyl-2-[(5-methyl-4-nitro-2-pyridinyl)amino]propane-1,3-diol
CID 107866269
2-[(4-amino-5-nitropyrimidin-2-yl)amino]butan-1-ol
CID 52992955
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115637
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol (CID 83269513) is 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol is CCC(CO)Nc1cc([N+](=O)[O-])c(C)cn1.
What is the InChIKey of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is AQEDTTJGTIFGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-8(6-14)12-10-4-9(13(15)16)7(2)5-11-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 2-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol?
2-[(5-methyl-4-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-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 83269513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).