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

C8H2ClF5N2O4 — CID 134669754

IUPAC6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)cc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)3(16(18)19)1-2(15-4)7(10)11/h1,7H
InChIKeyKVQCAPQPBSLQMT-UHFFFAOYSA-N
MW320.56 g/mol
LogP3.20
Rot. Bonds4

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

6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 134669754) has the molecular formula C8H2ClF5N2O4 and a molecular weight of 320.56 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID134669754
Molecular FormulaC8H2ClF5N2O4
Molecular Weight320.56 g/mol
Exact Mass319.96
IUPAC Name6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)cc([N+](=O)[O-])c1OC(F)(F)F
InChIInChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)3(16(18)19)1-2(15-4)7(10)11/h1,7H
InChIKeyKVQCAPQPBSLQMT-UHFFFAOYSA-N
XLogP3.20
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.56
LogP ≤ 53.20
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

6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
4-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118818087
6-(difluoromethyl)-2-nitro-3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134670707
2-[6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133096243
5-nitro-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 118801627
4-cyano-6-(difluoromethyl)-3-nitropyridine-2-carbonyl chloride
CID 133107618
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
4-fluoro-6-methyl-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118827397
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412
2-[6-(difluoromethyl)-4-nitro-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 133096242
6-(difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118803629

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 134669754) is 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is O=C(Cl)c1nc(C(F)F)cc([N+](=O)[O-])c1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is KVQCAPQPBSLQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF5N2O4/c9-6(17)4-5(20-8(12,13)14)3(16(18)19)1-2(15-4)7(10)11/h1,7H.
What are the key properties of 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 320.56 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 134669754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).