2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine

C11H4Cl4N2O2 — CID 119024598

IUPAC2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C11H4Cl4N2O2/c12-6-2-7(10(14)8(13)3-6)5-1-9(17(18)19)11(15)16-4-5/h1-4H
InChIKeyQQFFSEXEIIKOHJ-UHFFFAOYSA-N
MW337.98 g/mol
LogP5.27
Rot. Bonds2

About 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine

2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine (PubChem CID 119024598) has the molecular formula C11H4Cl4N2O2 and a molecular weight of 337.98 g/mol. Its IUPAC name is 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
PubChem CID119024598
Molecular FormulaC11H4Cl4N2O2
Molecular Weight337.98 g/mol
Exact Mass335.90
IUPAC Name2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine
SMILESO=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C11H4Cl4N2O2/c12-6-2-7(10(14)8(13)3-6)5-1-9(17(18)19)11(15)16-4-5/h1-4H
InChIKeyQQFFSEXEIIKOHJ-UHFFFAOYSA-N
XLogP5.27
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.98
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-chloro-5-fluoro-3-nitropyridine
CID 10773626
2-chloro-5-methyl-3-nitropyridine
CID 139082293
3-chloro-5-(2,3,5-trichlorophenyl)pyridine-2-carbaldehyde
CID 134637334
1,2,5-trichloro-3-(3-fluoro-5-nitrophenyl)benzene
CID 134630168
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
5-(4-bromobut-1-ynyl)-2-chloro-3-nitropyridine
CID 170466432
2-[5-(2,3-dichlorophenyl)-3-nitro-2-pyridinyl]acetic acid
CID 133087430
2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
CID 133087508
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
CID 87510432
2-chloro-5-(1,3-dioxolan-2-yl)-3-nitropyridine
CID 118585912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine?
The IUPAC name of 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine (CID 119024598) is 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine.
What is the SMILES notation for 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine?
The canonical SMILES for 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine is O=[N+]([O-])c1cc(-c2cc(Cl)cc(Cl)c2Cl)cnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine?
The InChIKey is QQFFSEXEIIKOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl4N2O2/c12-6-2-7(10(14)8(13)3-6)5-1-9(17(18)19)11(15)16-4-5/h1-4H.
What are the key properties of 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine?
2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine has a molecular weight of 337.98 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitro-5-(2,3,5-trichlorophenyl)pyridine is sourced from PubChem (CID 119024598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).