4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol

C10H15N3O3 — CID 66281150

IUPAC4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
SMILESCc1cnc(NCCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O3/c1-7-5-9(13(15)16)10(12-6-7)11-4-3-8(2)14/h5-6,8,14H,3-4H2,1-2H3,(H,11,12)
InChIKeyAXRGXFMATWZJIX-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds5

About 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol

4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol (PubChem CID 66281150) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
PubChem CID66281150
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
SMILESCc1cnc(NCCC(C)O)c([N+](=O)[O-])c1
InChIInChI=1S/C10H15N3O3/c1-7-5-9(13(15)16)10(12-6-7)11-4-3-8(2)14/h5-6,8,14H,3-4H2,1-2H3,(H,11,12)
InChIKeyAXRGXFMATWZJIX-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-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
5-methyl-N-(3-methylsulfinylbutyl)-3-nitropyridin-2-amine
CID 115715841
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
N-[2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 66281352
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
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethylurea
CID 79035548
6-(4-hydroxypentylamino)-5-nitropyridine-3-carboxylic acid
CID 106136487
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
5-methyl-N-(5-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 66278295
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol (CID 66281150) is 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol is Cc1cnc(NCCC(C)O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is AXRGXFMATWZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-5-9(13(15)16)10(12-6-7)11-4-3-8(2)14/h5-6,8,14H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol?
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-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 4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 66281150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).