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

C11H15N3O4 — CID 106102152

IUPAC3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESCc1cnc(NCC2(O)CCOC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-8-5-12-10(4-9(8)14(16)17)13-6-11(15)2-3-18-7-11/h4-5,15H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyDDKVVKHQQTYAIC-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.86
Rot. Bonds4

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

3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol (PubChem CID 106102152) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
PubChem CID106102152
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
SMILESCc1cnc(NCC2(O)CCOC2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-8-5-12-10(4-9(8)14(16)17)13-6-11(15)2-3-18-7-11/h4-5,15H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyDDKVVKHQQTYAIC-UHFFFAOYSA-N
XLogP0.86
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-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

3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-[[(5-methyl-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 103847710
3-[(4-methoxy-2-nitroanilino)methyl]oxolan-3-ol
CID 103847676
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143806
3-[(2-fluoro-5-methoxy-4-nitroanilino)methyl]oxolan-3-ol
CID 103883494
4-ethyl-1-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79165262
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
3-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103341
3-[(3-nitroanilino)methyl]oxolan-3-ol
CID 113337719
3-[(2,6-difluoro-4-nitroanilino)methyl]oxolan-3-ol
CID 103847690
3-[(2,6-dichloro-4-nitroanilino)methyl]oxolan-3-ol
CID 104918033

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol (CID 106102152) is 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol is Cc1cnc(NCC2(O)CCOC2)cc1[N+](=O)[O-].
What is the InChIKey of 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol?
The InChIKey is DDKVVKHQQTYAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8-5-12-10(4-9(8)14(16)17)13-6-11(15)2-3-18-7-11/h4-5,15H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol?
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol has a molecular weight of 253.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 106102152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).