2-chloro-5-nitro-3-(trichloromethyl)pyridine

C6H2Cl4N2O2 — CID 135050314

IUPAC2-chloro-5-nitro-3-(trichloromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C6H2Cl4N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
InChIKeyFRLLMFJUJUFCER-UHFFFAOYSA-N
MW275.91 g/mol
LogP3.47
Rot. Bonds1

About 2-chloro-5-nitro-3-(trichloromethyl)pyridine

2-chloro-5-nitro-3-(trichloromethyl)pyridine (PubChem CID 135050314) has the molecular formula C6H2Cl4N2O2 and a molecular weight of 275.91 g/mol. Its IUPAC name is 2-chloro-5-nitro-3-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-nitro-3-(trichloromethyl)pyridine
PubChem CID135050314
Molecular FormulaC6H2Cl4N2O2
Molecular Weight275.91 g/mol
Exact Mass273.89
IUPAC Name2-chloro-5-nitro-3-(trichloromethyl)pyridine
SMILESO=[N+]([O-])c1cnc(Cl)c(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C6H2Cl4N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H
InChIKeyFRLLMFJUJUFCER-UHFFFAOYSA-N
XLogP3.47
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-nitropyridine-3-carbaldehyde
CID 88905670
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
2-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
7-chloro-3-nitro-8-(trichloromethyl)quinoline
CID 141314818
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
1-fluoro-4-nitro-2-(trichloromethyl)benzene
CID 23325896
2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
CID 105452506
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
2-chloro-5-nitro-3-[4-(trifluoromethoxy)phenyl]pyridine
CID 119013443

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-3-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-5-nitro-3-(trichloromethyl)pyridine (CID 135050314) is 2-chloro-5-nitro-3-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-5-nitro-3-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-5-nitro-3-(trichloromethyl)pyridine is O=[N+]([O-])c1cnc(Cl)c(C(Cl)(Cl)Cl)c1.
What is the InChIKey of 2-chloro-5-nitro-3-(trichloromethyl)pyridine?
The InChIKey is FRLLMFJUJUFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4N2O2/c7-5-4(6(8,9)10)1-3(2-11-5)12(13)14/h1-2H.
What are the key properties of 2-chloro-5-nitro-3-(trichloromethyl)pyridine?
2-chloro-5-nitro-3-(trichloromethyl)pyridine has a molecular weight of 275.91 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-3-(trichloromethyl)pyridine is sourced from PubChem (CID 135050314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).