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

C7H3ClF2N2O3 — CID 118848721

IUPAC2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H3ClF2N2O3/c8-6(13)3-1-4(7(9)10)11-2-5(3)12(14)15/h1-2,7H
InChIKeyHGHOCHRRORZOAD-UHFFFAOYSA-N
MW236.56 g/mol
LogP2.31
Rot. Bonds3

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

2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride (PubChem CID 118848721) has the molecular formula C7H3ClF2N2O3 and a molecular weight of 236.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
PubChem CID118848721
Molecular FormulaC7H3ClF2N2O3
Molecular Weight236.56 g/mol
Exact Mass235.98
IUPAC Name2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
SMILESO=C(Cl)c1cc(C(F)F)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H3ClF2N2O3/c8-6(13)3-1-4(7(9)10)11-2-5(3)12(14)15/h1-2,7H
InChIKeyHGHOCHRRORZOAD-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

4-bromo-2-(difluoromethyl)-5-nitropyridine
CID 118811909
4-(chloromethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097922
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
methyl 6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134673227
2-(difluoromethyl)-5-nitro-4-propan-2-yloxypyridine
CID 167456886
3-amino-2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride
CID 134663914
2-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
6-(difluoromethyl)-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134670707
5-(difluoromethyl)-6-iodo-4-nitropyridine-3-carbonyl chloride
CID 133100987
methyl 5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134673314
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
2-(difluoromethyl)-4-nitropyridine-3-carbonyl chloride
CID 118815293

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride (CID 118848721) is 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride is O=C(Cl)c1cc(C(F)F)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
The InChIKey is HGHOCHRRORZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2N2O3/c8-6(13)3-1-4(7(9)10)11-2-5(3)12(14)15/h1-2,7H.
What are the key properties of 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride?
2-(difluoromethyl)-5-nitropyridine-4-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 2-(difluoromethyl)-5-nitropyridine-4-carbonyl chloride is sourced from PubChem (CID 118848721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).