2-bromo-6-chloro-4-nitropyridin-3-ol

C5H2BrClN2O3 — CID 154897670

IUPAC2-bromo-6-chloro-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(Cl)nc(Br)c1O
InChIInChI=1S/C5H2BrClN2O3/c6-5-4(10)2(9(11)12)1-3(7)8-5/h1,10H
InChIKeyWJNMIQUWSMRQRE-UHFFFAOYSA-N
MW253.44 g/mol
LogP2.11
Rot. Bonds1

About 2-bromo-6-chloro-4-nitropyridin-3-ol

2-bromo-6-chloro-4-nitropyridin-3-ol (PubChem CID 154897670) has the molecular formula C5H2BrClN2O3 and a molecular weight of 253.44 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-nitropyridin-3-ol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-nitropyridin-3-ol
PubChem CID154897670
Molecular FormulaC5H2BrClN2O3
Molecular Weight253.44 g/mol
Exact Mass251.89
IUPAC Name2-bromo-6-chloro-4-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(Cl)nc(Br)c1O
InChIInChI=1S/C5H2BrClN2O3/c6-5-4(10)2(9(11)12)1-3(7)8-5/h1,10H
InChIKeyWJNMIQUWSMRQRE-UHFFFAOYSA-N
XLogP2.11
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
4-chloro-2,6-dimethylpyridine;2,4,6-trinitrophenol
CID 172885312
2,4,6-trinitrobenzene-1,3-diol
CID 20534541
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
4-chloro-2,3-dimethyl-6-nitrophenol
CID 23238949
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
cobalt;2,4,6-trinitrophenol
CID 88826081
λ2-plumbane;2,4,6-trinitrobenzene-1,3-diol
CID 173370701
thorium;2,4,6-trinitrophenol
CID 88723018
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-nitropyridin-3-ol?
The IUPAC name of 2-bromo-6-chloro-4-nitropyridin-3-ol (CID 154897670) is 2-bromo-6-chloro-4-nitropyridin-3-ol.
What is the SMILES notation for 2-bromo-6-chloro-4-nitropyridin-3-ol?
The canonical SMILES for 2-bromo-6-chloro-4-nitropyridin-3-ol is O=[N+]([O-])c1cc(Cl)nc(Br)c1O.
What is the InChIKey of 2-bromo-6-chloro-4-nitropyridin-3-ol?
The InChIKey is WJNMIQUWSMRQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O3/c6-5-4(10)2(9(11)12)1-3(7)8-5/h1,10H.
What are the key properties of 2-bromo-6-chloro-4-nitropyridin-3-ol?
2-bromo-6-chloro-4-nitropyridin-3-ol has a molecular weight of 253.44 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-nitropyridin-3-ol is sourced from PubChem (CID 154897670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).