2,6-dichloro-3-(difluoromethyl)-4-nitropyridine

C6H2Cl2F2N2O2 — CID 119017807

IUPAC2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O2/c7-3-1-2(12(13)14)4(6(9)10)5(8)11-3/h1,6H
InChIKeyXYTVEGXFHBSHKA-UHFFFAOYSA-N
MW243.00 g/mol
LogP3.23
Rot. Bonds2

About 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine

2,6-dichloro-3-(difluoromethyl)-4-nitropyridine (PubChem CID 119017807) has the molecular formula C6H2Cl2F2N2O2 and a molecular weight of 243.00 g/mol. Its IUPAC name is 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine.

Molecular Properties

Compound Name2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
PubChem CID119017807
Molecular FormulaC6H2Cl2F2N2O2
Molecular Weight243.00 g/mol
Exact Mass241.95
IUPAC Name2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)nc(Cl)c1C(F)F
InChIInChI=1S/C6H2Cl2F2N2O2/c7-3-1-2(12(13)14)4(6(9)10)5(8)11-3/h1,6H
InChIKeyXYTVEGXFHBSHKA-UHFFFAOYSA-N
XLogP3.23
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.00
LogP ≤ 53.23
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

2-chloro-3-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118994549
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
[6-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanamine
CID 118831501
6-chloro-5-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131450851
ethyl 6-chloro-5-(difluoromethyl)-4-nitropyridine-2-carboxylate
CID 134670947
2-chloro-3-(difluoromethyl)-6-nitropyridin-4-amine
CID 118851730
6-chloro-3-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130073042
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
3-(difluoromethyl)-6-iodo-4-nitropyridine-2-sulfonyl chloride
CID 131348243
6-(aminomethyl)-3-(difluoromethyl)-4-nitropyridin-2-amine
CID 119014709

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine?
The IUPAC name of 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine (CID 119017807) is 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine.
What is the SMILES notation for 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine?
The canonical SMILES for 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine is O=[N+]([O-])c1cc(Cl)nc(Cl)c1C(F)F.
What is the InChIKey of 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine?
The InChIKey is XYTVEGXFHBSHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N2O2/c7-3-1-2(12(13)14)4(6(9)10)5(8)11-3/h1,6H.
What are the key properties of 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine?
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine has a molecular weight of 243.00 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(difluoromethyl)-4-nitropyridine is sourced from PubChem (CID 119017807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).