5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine

C12H10BrN3O3 — CID 164859228

IUPAC5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
SMILESC[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C12H10BrN3O3/c1-8(9-2-4-14-5-3-9)19-11-6-10(13)7-15-12(11)16(17)18/h2-8H,1H3/t8-/m1/s1
InChIKeyLUVLWMIRTIEGGT-MRVPVSSYSA-N
MW324.13 g/mol
LogP3.29
Rot. Bonds4

About 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine

5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine (PubChem CID 164859228) has the molecular formula C12H10BrN3O3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
PubChem CID164859228
Molecular FormulaC12H10BrN3O3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine
SMILESC[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C12H10BrN3O3/c1-8(9-2-4-14-5-3-9)19-11-6-10(13)7-15-12(11)16(17)18/h2-8H,1H3/t8-/m1/s1
InChIKeyLUVLWMIRTIEGGT-MRVPVSSYSA-N
XLogP3.29
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
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 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]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

5-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,2-thiazole
CID 170429147
2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 164859458
2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 170429338
4-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-2-methyl-1,3-thiazole
CID 164858810
5-bromo-3-[1-[2-[2-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-3-pyridinyl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 166559820
5-bromo-3-iodo-2-nitropyridine
CID 130647643
5-bromo-3-chloro-2-nitropyridine
CID 131027901
CID 167387774
CID 167387774
[5-bromo-3-(1-pyridin-3-ylethoxy)-2-pyridinyl]-methoxyazanium
CID 164859234
3-[[2-[2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-4-fluorophenyl]pyrazol-3-yl]-hydroxymethyl]-1-methylpyrazole-5-carbonitrile
CID 164719207
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-3-[1-[2-[5-[(5-bromo-1-cyclobutylpyrazol-4-yl)methyl]imidazol-1-yl]-5-fluorophenyl]ethoxy]-2-nitropyridine
CID 167387760

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine?
The IUPAC name of 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine (CID 164859228) is 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine.
What is the SMILES notation for 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine?
The canonical SMILES for 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine is C[C@@H](Oc1cc(Br)cnc1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine?
The InChIKey is LUVLWMIRTIEGGT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10BrN3O3/c1-8(9-2-4-14-5-3-9)19-11-6-10(13)7-15-12(11)16(17)18/h2-8H,1H3/t8-/m1/s1.
What are the key properties of 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine?
5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine has a molecular weight of 324.13 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-nitro-3-[(1R)-1-pyridin-4-ylethoxy]pyridine is sourced from PubChem (CID 164859228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).