3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride

C7H4ClF2IN2O — CID 130105680

IUPAC3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
SMILESNc1c(C(=O)Cl)ncc(C(F)F)c1I
InChIInChI=1S/C7H4ClF2IN2O/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H,12H2
InChIKeyZISPDPCRTIDFQG-UHFFFAOYSA-N
MW332.48 g/mol
LogP2.59
Rot. Bonds2

About 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride

3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride (PubChem CID 130105680) has the molecular formula C7H4ClF2IN2O and a molecular weight of 332.48 g/mol. Its IUPAC name is 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
PubChem CID130105680
Molecular FormulaC7H4ClF2IN2O
Molecular Weight332.48 g/mol
Exact Mass331.90
IUPAC Name3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
SMILESNc1c(C(=O)Cl)ncc(C(F)F)c1I
InChIInChI=1S/C7H4ClF2IN2O/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H,12H2
InChIKeyZISPDPCRTIDFQG-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': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
5-cyano-3-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 134664572

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The IUPAC name of 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride (CID 130105680) is 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride is Nc1c(C(=O)Cl)ncc(C(F)F)c1I.
What is the InChIKey of 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
The InChIKey is ZISPDPCRTIDFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2IN2O/c8-6(14)5-4(12)3(11)2(1-13-5)7(9)10/h1,7H,12H2.
What are the key properties of 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride?
3-amino-5-(difluoromethyl)-4-iodopyridine-2-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 3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 130105680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).