2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine

C7H4ClF2IN2O2 — CID 118838108

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(CCl)c1I
InChIInChI=1S/C7H4ClF2IN2O2/c8-2-4-6(11)5(13(14)15)1-3(12-4)7(9)10/h1,7H,2H2
InChIKeyHBANCRDNIOTKIF-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.27
Rot. Bonds3

About 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine

2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine (PubChem CID 118838108) has the molecular formula C7H4ClF2IN2O2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
PubChem CID118838108
Molecular FormulaC7H4ClF2IN2O2
Molecular Weight348.47 g/mol
Exact Mass347.90
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(C(F)F)nc(CCl)c1I
InChIInChI=1S/C7H4ClF2IN2O2/c8-2-4-6(11)5(13(14)15)1-3(12-4)7(9)10/h1,7H,2H2
InChIKeyHBANCRDNIOTKIF-UHFFFAOYSA-N
XLogP3.27
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077370
3-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-nitropyridine
CID 130086628
3-bromo-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130068192
2-(bromomethyl)-6-(difluoromethyl)-4-nitropyridin-3-ol
CID 118832789
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-nitropyridine
CID 130088256
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine (CID 118838108) is 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine is O=[N+]([O-])c1cc(C(F)F)nc(CCl)c1I.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?
The InChIKey is HBANCRDNIOTKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2IN2O2/c8-2-4-6(11)5(13(14)15)1-3(12-4)7(9)10/h1,7H,2H2.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine?
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine has a molecular weight of 348.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine is sourced from PubChem (CID 118838108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).