5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride

C7H3ClF2N2O3 — CID 134672843

IUPAC5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(C(F)F)cn1
InChIInChI=1S/C7H3ClF2N2O3/c8-6(13)4-1-5(12(14)15)3(2-11-4)7(9)10/h1-2,7H
InChIKeyMYJOADJRNZDXFZ-UHFFFAOYSA-N
MW236.56 g/mol
LogP2.31
Rot. Bonds3

About 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride

5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride (PubChem CID 134672843) has the molecular formula C7H3ClF2N2O3 and a molecular weight of 236.56 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
PubChem CID134672843
Molecular FormulaC7H3ClF2N2O3
Molecular Weight236.56 g/mol
Exact Mass235.98
IUPAC Name5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1cc([N+](=O)[O-])c(C(F)F)cn1
InChIInChI=1S/C7H3ClF2N2O3/c8-6(13)4-1-5(12(14)15)3(2-11-4)7(9)10/h1-2,7H
InChIKeyMYJOADJRNZDXFZ-UHFFFAOYSA-N
XLogP2.31
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.56
LogP ≤ 52.31
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

[5-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130097958
2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 118848721
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
1-(difluoromethyl)-2,4-dinitrobenzene
CID 154791323
methyl 2-[5-(difluoromethyl)-4-nitro-2-pyridinyl]acetate
CID 134673326
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
4-(difluoromethyl)-2-fluoro-5-nitropyridine
CID 130096275
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
4-(bromomethyl)-5-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098302

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride (CID 134672843) is 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride is O=C(Cl)c1cc([N+](=O)[O-])c(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride?
The InChIKey is MYJOADJRNZDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O3/c8-6(13)4-1-5(12(14)15)3(2-11-4)7(9)10/h1-2,7H.
What are the key properties of 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride?
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride has a molecular weight of 236.56 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 134672843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).