6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride

C7H4ClF2IN2O — CID 130105658

IUPAC6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
SMILESNc1cc(C(=O)Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H4ClF2IN2O/c8-5(14)2-1-3(12)13-7(11)4(2)6(9)10/h1,6H,(H2,12,13)
InChIKeyJQLIMGCIFPNYSK-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.59
Rot. Bonds2

About 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride

6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride (PubChem CID 130105658) has the molecular formula C7H4ClF2IN2O and a molecular weight of 332.48 g/mol. Its IUPAC name is 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride.

Molecular Properties

Compound Name6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
PubChem CID130105658
Molecular FormulaC7H4ClF2IN2O
Molecular Weight332.48 g/mol
Exact Mass331.90
IUPAC Name6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
SMILESNc1cc(C(=O)Cl)c(C(F)F)c(I)n1
InChIInChI=1S/C7H4ClF2IN2O/c8-5(14)2-1-3(12)13-7(11)4(2)6(9)10/h1,6H,(H2,12,13)
InChIKeyJQLIMGCIFPNYSK-UHFFFAOYSA-N
XLogP2.59
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 52.59
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonyl chloride
CID 130105004
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 133084777
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
6-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride?
The IUPAC name of 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride (CID 130105658) is 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride.
What is the SMILES notation for 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride?
The canonical SMILES for 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride is Nc1cc(C(=O)Cl)c(C(F)F)c(I)n1.
What is the InChIKey of 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride?
The InChIKey is JQLIMGCIFPNYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2IN2O/c8-5(14)2-1-3(12)13-7(11)4(2)6(9)10/h1,6H,(H2,12,13).
What are the key properties of 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride?
6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride has a molecular weight of 332.48 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride is sourced from PubChem (CID 130105658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).