5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol

C13H12Br2ClN5O5 — CID 162205567

IUPAC5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(Br)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Br)cnc1Cl
InChIInChI=1S/C8H10BrN3O3.C5H2BrClN2O2/c1-5(13)3-10-8-7(12(14)15)2-6(9)4-11-8;6-3-1-4(9(10)11)5(7)8-2-3/h2,4-5,13H,3H2,1H3,(H,10,11);1-2H
InChIKeyZSDJSNGREDRRCY-UHFFFAOYSA-N
MW513.53 g/mol
LogP3.95
Rot. Bonds5

About 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol

5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol (PubChem CID 162205567) has the molecular formula C13H12Br2ClN5O5 and a molecular weight of 513.53 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol
PubChem CID162205567
Molecular FormulaC13H12Br2ClN5O5
Molecular Weight513.53 g/mol
Exact Mass510.89
IUPAC Name5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)CNc1ncc(Br)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Br)cnc1Cl
InChIInChI=1S/C8H10BrN3O3.C5H2BrClN2O2/c1-5(13)3-10-8-7(12(14)15)2-6(9)4-11-8;6-3-1-4(9(10)11)5(7)8-2-3/h2,4-5,13H,3H2,1H3,(H,10,11);1-2H
InChIKeyZSDJSNGREDRRCY-UHFFFAOYSA-N
XLogP3.95
TPSA144.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol with MolForge

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Related Compounds

N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 80539678
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-1-(3-methylphenyl)ethanol
CID 133375916
3-[(5-bromo-3-nitro-2-pyridinyl)amino]propanoic acid
CID 61229415
4-[(5-bromo-3-nitro-2-pyridinyl)amino]-2,2-dimethylbutanoic acid
CID 114285521
5-bromo-N-(2-methylsulfinylethyl)-3-nitropyridin-2-amine
CID 75381292
4-[(5-methyl-3-nitro-2-pyridinyl)amino]butan-2-ol
CID 66281150
5-bromo-N-[2-[(R)-methylsulfinyl]ethyl]-3-nitropyridin-2-amine
CID 97227168
(2R)-1-[(6-chloro-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 141342242
3-[(5-bromo-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 80708503
5-[(5-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107269289
5-bromo-3-nitro-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 61229223

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol (CID 162205567) is 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol is CC(O)CNc1ncc(Br)cc1[N+](=O)[O-].O=[N+]([O-])c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is ZSDJSNGREDRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3.C5H2BrClN2O2/c1-5(13)3-10-8-7(12(14)15)2-6(9)4-11-8;6-3-1-4(9(10)11)5(7)8-2-3/h2,4-5,13H,3H2,1H3,(H,10,11);1-2H.
What are the key properties of 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol?
5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 513.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-nitropyridine;1-[(5-bromo-3-nitro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 162205567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).