5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine

C33H20BrCl6F2N11O12 — CID 158316343

IUPAC5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Cl)n1.Cc1cnc(Cl)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(Br)cnc1Cl.O=[N+]([O-])c1cc(F)cnc1Cl.O=[N+]([O-])c1cccc(F)c1Cl.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C6H3ClFNO2.2C6H5ClN2O2.C5H2BrClN2O2.C5H2ClFN2O2.C5H3ClN2O2/c7-6-4(8)2-1-3-5(6)9(10)11;1-4-2-5(9(10)11)6(7)8-3-4;1-4-2-3-5(9(10)11)6(7)8-4;6-3-1-4(9(10)11)5(7)8-2-3;6-5-4(9(10)11)1-3(7)2-8-5;6-5-4(8(9)10)2-1-3-7-5/h1-3H;2*2-3H,1H3;2*1-2H;1-3H
InChIKeyGOHNRLLZEMZRBM-UHFFFAOYSA-N
MW1093.21 g/mol
LogP12.12
Rot. Bonds6

About 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine

5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine (PubChem CID 158316343) has the molecular formula C33H20BrCl6F2N11O12 and a molecular weight of 1093.21 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine.

Molecular Properties

Compound Name5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine
PubChem CID158316343
Molecular FormulaC33H20BrCl6F2N11O12
Molecular Weight1093.21 g/mol
Exact Mass1088.86
IUPAC Name5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine
SMILESCc1ccc([N+](=O)[O-])c(Cl)n1.Cc1cnc(Cl)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(Br)cnc1Cl.O=[N+]([O-])c1cc(F)cnc1Cl.O=[N+]([O-])c1cccc(F)c1Cl.O=[N+]([O-])c1cccnc1Cl
InChIInChI=1S/C6H3ClFNO2.2C6H5ClN2O2.C5H2BrClN2O2.C5H2ClFN2O2.C5H3ClN2O2/c7-6-4(8)2-1-3-5(6)9(10)11;1-4-2-5(9(10)11)6(7)8-3-4;1-4-2-3-5(9(10)11)6(7)8-4;6-3-1-4(9(10)11)5(7)8-2-3;6-5-4(9(10)11)1-3(7)2-8-5;6-5-4(8(9)10)2-1-3-7-5/h1-3H;2*2-3H,1H3;2*1-2H;1-3H
InChIKeyGOHNRLLZEMZRBM-UHFFFAOYSA-N
XLogP12.12
TPSA323.29 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001093.21
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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

3-Chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,5-dimethylpyridine;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine;2-methyl-3-(trifluoromethyl)pyridine;4-methyl-3-(trifluoromethyl)pyridine
CID 159955373
2-bromo-5-chloro-3-nitropyridine;5-chloro-3-nitro-2-prop-1-en-2-ylpyridine;(E)-hex-2-ene;2-methylprop-1-ene;3-nitro-5-[(E)-pent-1-enyl]-2-prop-1-en-2-ylpyridine;5-pentyl-2-propan-2-ylpyridin-3-amine
CID 158576833
2-Bromopyridine;2-chloro-3-nitropyridine;3-nitro-2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridin-3-amine;tributyl(chloro)stannane;tributyl(pyridin-2-yl)stannane
CID 159283228
3-Chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
CID 160683295
3-Chloro-2-methylpyridine;3-chloro-4-methylpyridine;5-chloro-2-methylpyridine;2,3-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;methane;2-methyl-3-nitropyridine;2-methyl-5-nitropyridine;4-methyl-3-nitropyridine;2-methylpyridine;4-methylpyridine
CID 161181476

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine?
The IUPAC name of 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine (CID 158316343) is 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine.
What is the SMILES notation for 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine?
The canonical SMILES for 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine is Cc1ccc([N+](=O)[O-])c(Cl)n1.Cc1cnc(Cl)c([N+](=O)[O-])c1.O=[N+]([O-])c1cc(Br)cnc1Cl.O=[N+]([O-])c1cc(F)cnc1Cl.O=[N+]([O-])c1cccc(F)c1Cl.O=[N+]([O-])c1cccnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine?
The InChIKey is GOHNRLLZEMZRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClFNO2.2C6H5ClN2O2.C5H2BrClN2O2.C5H2ClFN2O2.C5H3ClN2O2/c7-6-4(8)2-1-3-5(6)9(10)11;1-4-2-5(9(10)11)6(7)8-3-4;1-4-2-3-5(9(10)11)6(7)8-4;6-3-1-4(9(10)11)5(7)8-2-3;6-5-4(9(10)11)1-3(7)2-8-5;6-5-4(8(9)10)2-1-3-7-5/h1-3H;2*2-3H,1H3;2*1-2H;1-3H.
What are the key properties of 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine?
5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine has a molecular weight of 1093.21 g/mol, XLogP of 12.12, 6 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-nitropyridine;2-chloro-1-fluoro-3-nitrobenzene;2-chloro-5-fluoro-3-nitropyridine;2-chloro-5-methyl-3-nitropyridine;2-chloro-6-methyl-3-nitropyridine;2-chloro-3-nitropyridine is sourced from PubChem (CID 158316343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).