6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine

C7H4ClF3N2O3 — CID 43152615

IUPAC6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O3/c8-5-2-1-4(13(14)15)6(12-5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyZJUQBSZTBLOKFQ-UHFFFAOYSA-N
MW256.57 g/mol
LogP2.58
Rot. Bonds3

About 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine

6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 43152615) has the molecular formula C7H4ClF3N2O3 and a molecular weight of 256.57 g/mol. Its IUPAC name is 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID43152615
Molecular FormulaC7H4ClF3N2O3
Molecular Weight256.57 g/mol
Exact Mass255.99
IUPAC Name6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1OCC(F)(F)F
InChIInChI=1S/C7H4ClF3N2O3/c8-5-2-1-4(13(14)15)6(12-5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyZJUQBSZTBLOKFQ-UHFFFAOYSA-N
XLogP2.58
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.57
LogP ≤ 52.58
H-Bond Donors ≤ 50
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

5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid
CID 114403116
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
6-chloro-3-nitro-2-(2-phenoxyethoxy)pyridine
CID 43330207
6-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-nitropyridine
CID 104561286
2-[methyl-[5-nitro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]amino]ethanol
CID 141419227
6-chloro-2-[(4-methoxyphenyl)methoxy]-3-nitropyridine
CID 43330217
6-chloro-3-nitro-2-[3-(trifluoromethyl)phenoxy]pyridine
CID 61057396
2-fluoro-3-iodo-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine
CID 155234464
N-[2-[(6-chloro-3-nitro-2-pyridinyl)oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505475
[1-[(6-chloro-3-nitro-2-pyridinyl)oxy]-4,4-dimethylpentan-3-yl] carbamate
CID 175510540
6-chloro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-nitropyridine
CID 43330226
2-[(3-bromophenyl)methoxy]-6-chloro-3-nitropyridine
CID 82823985

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine (CID 43152615) is 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine is O=[N+]([O-])c1ccc(Cl)nc1OCC(F)(F)F.
What is the InChIKey of 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is ZJUQBSZTBLOKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O3/c8-5-2-1-4(13(14)15)6(12-5)16-3-7(9,10)11/h1-2H,3H2.
What are the key properties of 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 256.57 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-nitro-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 43152615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).