3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol

C11H17N3O3 — CID 113258140

IUPAC3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-10-5-4-9(8-12-10)14(16)17/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyPBIBXMIEWJUDHT-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.95
Rot. Bonds6

About 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol

3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol (PubChem CID 113258140) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
PubChem CID113258140
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol
SMILESCCC(C)(CCO)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-10-5-4-9(8-12-10)14(16)17/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13)
InChIKeyPBIBXMIEWJUDHT-UHFFFAOYSA-N
XLogP1.95
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.95
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

3-[(5-fluoro-2-pyridinyl)amino]-3-methylpentan-1-ol
CID 106171523
3-[[(5-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 62059734
3-methyl-3-[(6-nitro-3-pyridinyl)amino]pentan-1-ol
CID 106171127
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
3-methyl-3-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106179181
3-methyl-3-[(6-nitro-1H-benzimidazol-2-yl)amino]pentan-1-ol
CID 106171761
N-(2-methylbut-3-en-2-yl)-5-nitropyridin-2-amine
CID 154776014
4-[(5-nitro-2-pyridinyl)amino]-2-phenylbutan-2-ol
CID 133495647
(2S)-2-[(5-nitro-2-pyridinyl)amino]butan-1-ol
CID 28852088
2-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)-4-nitrobenzamide
CID 103945514
2-[(5-nitro-2-pyridinyl)amino]acetic acid
CID 3798682
5-nitro-N-pentan-3-ylpyridin-2-amine
CID 43079595

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol (CID 113258140) is 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol is CCC(C)(CCO)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol?
The InChIKey is PBIBXMIEWJUDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-11(2,6-7-15)13-10-5-4-9(8-12-10)14(16)17/h4-5,8,15H,3,6-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol?
3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol has a molecular weight of 239.27 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(5-nitro-2-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 113258140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).