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

C10H15N3O3 — CID 115644164

IUPAC3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-8(5-7-14)12-9-4-3-6-11-10(9)13(15)16/h3-4,6,8,12,14H,2,5,7H2,1H3
InChIKeyRTFXYEPXFQJLFF-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.56
Rot. Bonds6

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

3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol (PubChem CID 115644164) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol
PubChem CID115644164
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol
SMILESCCC(CCO)Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O3/c1-2-8(5-7-14)12-9-4-3-6-11-10(9)13(15)16/h3-4,6,8,12,14H,2,5,7H2,1H3
InChIKeyRTFXYEPXFQJLFF-UHFFFAOYSA-N
XLogP1.56
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.56
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 3-[(2-nitro-3-pyridinyl)amino]pentan-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-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 115585333
3-[[(2-nitro-3-pyridinyl)amino]methyl]pentan-1-ol
CID 112698378
(2S)-2-[(2-nitro-3-pyridinyl)amino]propan-1-ol
CID 126999846
N-heptan-2-yl-2-nitropyridin-3-amine
CID 112686460
3-(3-ethoxy-2-nitroanilino)pentan-1-ol
CID 104695527
1-N,1-N-dimethyl-3-N-(2-nitro-3-pyridinyl)butane-1,3-diamine
CID 113227932
2-ethyl-2-[(2-nitro-3-pyridinyl)amino]butan-1-ol
CID 112697194
N-methyl-2-nitropyridin-3-amine
CID 555983
1-(2-nitro-3-pyridinyl)butane-1,2,4-triol
CID 171872287
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
3-(2-fluoro-4-nitroanilino)pentan-1-ol
CID 113240569

Frequently Asked Questions

What is the IUPAC name of 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol?
The IUPAC name of 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol (CID 115644164) is 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol?
The canonical SMILES for 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol is CCC(CCO)Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol?
The InChIKey is RTFXYEPXFQJLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8(5-7-14)12-9-4-3-6-11-10(9)13(15)16/h3-4,6,8,12,14H,2,5,7H2,1H3.
What are the key properties of 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol?
3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-nitro-3-pyridinyl)amino]pentan-1-ol is sourced from PubChem (CID 115644164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).