3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine

C6H2ClF3N2O2 — CID 130071661

IUPAC3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1nc(C(F)F)c(Cl)cc1F
InChIInChI=1S/C6H2ClF3N2O2/c7-2-1-3(8)6(12(13)14)11-4(2)5(9)10/h1,5H
InChIKeyOVUQROCGSVRTKL-UHFFFAOYSA-N
MW226.54 g/mol
LogP2.72
Rot. Bonds2

About 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine

3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine (PubChem CID 130071661) has the molecular formula C6H2ClF3N2O2 and a molecular weight of 226.54 g/mol. Its IUPAC name is 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
PubChem CID130071661
Molecular FormulaC6H2ClF3N2O2
Molecular Weight226.54 g/mol
Exact Mass225.98
IUPAC Name3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
SMILESO=[N+]([O-])c1nc(C(F)F)c(Cl)cc1F
InChIInChI=1S/C6H2ClF3N2O2/c7-2-1-3(8)6(12(13)14)11-4(2)5(9)10/h1,5H
InChIKeyOVUQROCGSVRTKL-UHFFFAOYSA-N
XLogP2.72
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.54
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786
ethyl 2-[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]acetate
CID 134667820
2-bromo-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 118997697
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
3,4-dichloro-6-(difluoromethyl)-2-nitropyridine
CID 130099273
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
5-chloro-6-(difluoromethyl)-2-fluoropyridin-3-amine
CID 130102453
5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
CID 130110130
4-chloro-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130102612
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine?
The IUPAC name of 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine (CID 130071661) is 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine.
What is the SMILES notation for 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine?
The canonical SMILES for 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine is O=[N+]([O-])c1nc(C(F)F)c(Cl)cc1F.
What is the InChIKey of 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine?
The InChIKey is OVUQROCGSVRTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O2/c7-2-1-3(8)6(12(13)14)11-4(2)5(9)10/h1,5H.
What are the key properties of 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine?
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine has a molecular weight of 226.54 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine is sourced from PubChem (CID 130071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).