6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride

C7H4ClF3N2O — CID 130104341

IUPAC6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
SMILESNc1nc(F)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-4(14)2-1-3(5(9)10)7(12)13-6(2)11/h1,5H,(H2,12,13)
InChIKeyGESJLXHUBBTLFS-UHFFFAOYSA-N
MW224.57 g/mol
LogP2.12
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride

6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride (PubChem CID 130104341) has the molecular formula C7H4ClF3N2O and a molecular weight of 224.57 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
PubChem CID130104341
Molecular FormulaC7H4ClF3N2O
Molecular Weight224.57 g/mol
Exact Mass224.00
IUPAC Name6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
SMILESNc1nc(F)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C7H4ClF3N2O/c8-4(14)2-1-3(5(9)10)7(12)13-6(2)11/h1,5H,(H2,12,13)
InChIKeyGESJLXHUBBTLFS-UHFFFAOYSA-N
XLogP2.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.57
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130096549
2-amino-5-(difluoromethyl)-6-fluoropyridin-3-ol
CID 119007659
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 130079740
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
5-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130079742
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
ethyl 5-(difluoromethyl)-2,6-difluoropyridine-3-carboxylate
CID 134677162
5-chloro-3-(difluoromethyl)-6-fluoropyridine-2-carboxamide
CID 130072214

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The IUPAC name of 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride (CID 130104341) is 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The canonical SMILES for 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride is Nc1nc(F)c(C(=O)Cl)cc1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
The InChIKey is GESJLXHUBBTLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O/c8-4(14)2-1-3(5(9)10)7(12)13-6(2)11/h1,5H,(H2,12,13).
What are the key properties of 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride?
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride has a molecular weight of 224.57 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride is sourced from PubChem (CID 130104341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).