3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride

C7H2ClF3N2O3 — CID 133104450

IUPAC3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])c(F)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2O3/c8-5(14)4-2(6(10)11)1-3(9)7(12-4)13(15)16/h1,6H
InChIKeyBDLAHHIDGQSDLL-UHFFFAOYSA-N
MW254.55 g/mol
LogP2.45
Rot. Bonds3

About 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride (PubChem CID 133104450) has the molecular formula C7H2ClF3N2O3 and a molecular weight of 254.55 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
PubChem CID133104450
Molecular FormulaC7H2ClF3N2O3
Molecular Weight254.55 g/mol
Exact Mass253.97
IUPAC Name3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc([N+](=O)[O-])c(F)cc1C(F)F
InChIInChI=1S/C7H2ClF3N2O3/c8-5(14)4-2(6(10)11)1-3(9)7(12-4)13(15)16/h1,6H
InChIKeyBDLAHHIDGQSDLL-UHFFFAOYSA-N
XLogP2.45
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 52.45
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

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
3-chloro-2-(difluoromethyl)-5-fluoro-6-nitropyridine
CID 130071661
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
ethyl 5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134684763

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride (CID 133104450) is 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride is O=C(Cl)c1nc([N+](=O)[O-])c(F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride?
The InChIKey is BDLAHHIDGQSDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2O3/c8-5(14)4-2(6(10)11)1-3(9)7(12-4)13(15)16/h1,6H.
What are the key properties of 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride?
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride has a molecular weight of 254.55 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 133104450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).