2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine

C7H4ClF3N2O2 — CID 87510432

IUPAC2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)C(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF3N2O2/c8-6-4(13(14)15)1-3(2-12-6)5(9)7(10)11/h1-2,5,7H
InChIKeyPGQADKFJBLEDQJ-UHFFFAOYSA-N
MW240.57 g/mol
LogP2.92
Rot. Bonds3

About 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine

2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine (PubChem CID 87510432) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
PubChem CID87510432
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC Name2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine
SMILESO=[N+]([O-])c1cc(C(F)C(F)F)cnc1Cl
InChIInChI=1S/C7H4ClF3N2O2/c8-6-4(13(14)15)1-3(2-12-6)5(9)7(10)11/h1-2,5,7H
InChIKeyPGQADKFJBLEDQJ-UHFFFAOYSA-N
XLogP2.92
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
CID 130699268
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
4-bromo-1-(6-chloro-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892378
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
2-chloro-3-nitro-5-(trifluoromethyl)pyridine;phosphoryl trichloride
CID 158145766
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
S-[4-(6-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutyl] ethanethioate
CID 171876253
5-[(2R)-azetidin-2-yl]-2-chloro-3-nitropyridine
CID 130648559
5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
CID 130097976
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-(1,2,2-trifluoroethyl)pyridine?
The IUPAC name of 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine (CID 87510432) is 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine.
What is the SMILES notation for 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine?
The canonical SMILES for 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine is O=[N+]([O-])c1cc(C(F)C(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine?
The InChIKey is PGQADKFJBLEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-6-4(13(14)15)1-3(2-12-6)5(9)7(10)11/h1-2,5,7H.
What are the key properties of 2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine?
2-chloro-3-nitro-5-(1,2,2-trifluoroethyl)pyridine has a molecular weight of 240.57 g/mol, XLogP of 2.92, 3 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-(1,2,2-trifluoroethyl)pyridine is sourced from PubChem (CID 87510432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).