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

C8H5ClF2N2O4 — CID 118803999

IUPAC6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O4/c1-17-4-2-3(7(9)14)12-5(8(10)11)6(4)13(15)16/h2,8H,1H3
InChIKeyOVUWUMQUBKKYSR-UHFFFAOYSA-N
MW266.59 g/mol
LogP2.32
Rot. Bonds4

About 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride

6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride (PubChem CID 118803999) has the molecular formula C8H5ClF2N2O4 and a molecular weight of 266.59 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
PubChem CID118803999
Molecular FormulaC8H5ClF2N2O4
Molecular Weight266.59 g/mol
Exact Mass265.99
IUPAC Name6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
SMILESCOc1cc(C(=O)Cl)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O4/c1-17-4-2-3(7(9)14)12-5(8(10)11)6(4)13(15)16/h2,8H,1H3
InChIKeyOVUWUMQUBKKYSR-UHFFFAOYSA-N
XLogP2.32
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.59
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
CID 118833974
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
methyl 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
CID 133099090
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
CID 118826123
methyl 2-[4-chloro-6-(difluoromethyl)-5-nitro-2-pyridinyl]acetate
CID 134670969
2-(difluoromethyl)-5-methoxy-4-nitropyridine-3-carboxylic acid
CID 118831830
5-cyano-6-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134685714
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
3,5-dimethoxy-2-nitrobenzoyl chloride
CID 14604499

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride (CID 118803999) is 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride is COc1cc(C(=O)Cl)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride?
The InChIKey is OVUWUMQUBKKYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O4/c1-17-4-2-3(7(9)14)12-5(8(10)11)6(4)13(15)16/h2,8H,1H3.
What are the key properties of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride?
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride has a molecular weight of 266.59 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 118803999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).