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

C10H15N3O3 — CID 11436054

IUPAC1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
SMILESCCC(O)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-8(14)6-11-10-5-4-9(13(15)16)7(2)12-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyARMHBDNWXLGPJD-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds5

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

1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol (PubChem CID 11436054) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
PubChem CID11436054
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol
SMILESCCC(O)CNc1ccc([N+](=O)[O-])c(C)n1
InChIInChI=1S/C10H15N3O3/c1-3-8(14)6-11-10-5-4-9(13(15)16)7(2)12-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12)
InChIKeyARMHBDNWXLGPJD-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

1-methoxy-3-[(6-methyl-5-nitro-2-pyridinyl)amino]propan-2-ol
CID 80712438
N-(2-methoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 102698850
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
2-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 69321388
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
1-[(6-amino-5-nitro-2-pyridinyl)amino]pentan-3-ol
CID 113497685
2-ethyl-2-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 115430143
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
N-(3-ethoxypropyl)-6-methyl-5-nitropyridin-2-amine
CID 80719198
2-[(6-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 11424958
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol (CID 11436054) is 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol is CCC(O)CNc1ccc([N+](=O)[O-])c(C)n1.
What is the InChIKey of 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is ARMHBDNWXLGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-8(14)6-11-10-5-4-9(13(15)16)7(2)12-10/h4-5,8,14H,3,6H2,1-2H3,(H,11,12).
What are the key properties of 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol?
1-[(6-methyl-5-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 1-[(6-methyl-5-nitro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 11436054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).