2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride

C8H2ClF5N2O3 — CID 118809632

IUPAC2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H2ClF5N2O3/c9-6(17)4-2(16(18)19)1-3(8(12,13)14)15-5(4)7(10)11/h1,7H
InChIKeyWPOMVFMPOUCHKX-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.33
Rot. Bonds3

About 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride

2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 118809632) has the molecular formula C8H2ClF5N2O3 and a molecular weight of 304.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID118809632
Molecular FormulaC8H2ClF5N2O3
Molecular Weight304.56 g/mol
Exact Mass303.97
IUPAC Name2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)nc1C(F)F
InChIInChI=1S/C8H2ClF5N2O3/c9-6(17)4-2(16(18)19)1-3(8(12,13)14)15-5(4)7(10)11/h1,7H
InChIKeyWPOMVFMPOUCHKX-UHFFFAOYSA-N
XLogP3.33
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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-(difluoromethyl)-3-methoxy-4-nitro-6-(trifluoromethyl)pyridine
CID 118842821
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293
2-(difluoromethyl)-4-iodo-6-nitropyridine-3-carbonyl chloride
CID 118826585
4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118854491
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669754
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
[6-(difluoromethyl)-4-nitro-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803499

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 118809632) is 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is WPOMVFMPOUCHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF5N2O3/c9-6(17)4-2(16(18)19)1-3(8(12,13)14)15-5(4)7(10)11/h1,7H.
What are the key properties of 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 304.56 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 118809632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).