3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine

C11H14BrN3O3 — CID 177197280

IUPAC3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
SMILESO=[N+]([O-])c1cnc(OC[C@@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-10-5-9(15(16)17)6-14-11(10)18-7-8-3-1-2-4-13-8/h5-6,8,13H,1-4,7H2/t8-/m0/s1
InChIKeySWFHMDOEXYEAHX-QMMMGPOBSA-N
MW316.16 g/mol
LogP2.27
Rot. Bonds4

About 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine

3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine (PubChem CID 177197280) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
PubChem CID177197280
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine
SMILESO=[N+]([O-])c1cnc(OC[C@@H]2CCCCN2)c(Br)c1
InChIInChI=1S/C11H14BrN3O3/c12-10-5-9(15(16)17)6-14-11(10)18-7-8-3-1-2-4-13-8/h5-6,8,13H,1-4,7H2/t8-/m0/s1
InChIKeySWFHMDOEXYEAHX-QMMMGPOBSA-N
XLogP2.27
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
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-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine 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-bromo-4-nitrophenoxy)methyl]piperidine
CID 62348467
(2S)-2-[(2-bromo-4-nitrophenoxy)methyl]piperidine
CID 177197250
3-bromo-4-methyl-5-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 104508429
2-[(3-methyl-5-nitrophenoxy)methyl]piperidine
CID 112649703
3-bromo-5-nitro-2-[(3S)-piperidin-3-yl]oxypyridine
CID 79523632
3-nitro-4-(piperidin-2-ylmethoxy)pyridine
CID 62349163
(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
6-methoxy-3-nitro-2-(piperidin-2-ylmethoxy)pyridine
CID 115323416
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 53407765
2-[(3-ethoxy-5-nitrophenoxy)methyl]pyrrolidine
CID 80744438
3-bromo-5-nitro-2-(oxetan-3-yloxy)pyridine
CID 155387445

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine (CID 177197280) is 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine is O=[N+]([O-])c1cnc(OC[C@@H]2CCCCN2)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine?
The InChIKey is SWFHMDOEXYEAHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-10-5-9(15(16)17)6-14-11(10)18-7-8-3-1-2-4-13-8/h5-6,8,13H,1-4,7H2/t8-/m0/s1.
What are the key properties of 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine?
3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine has a molecular weight of 316.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-2-[[(2S)-piperidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 177197280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).