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

C7H4ClF2IN2O2 — CID 130086595

IUPAC6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(CCl)nc(C(F)F)c1I
InChIInChI=1S/C7H4ClF2IN2O2/c8-2-3-1-4(13(14)15)5(11)6(12-3)7(9)10/h1,7H,2H2
InChIKeyYCTBVHWUFAYSHA-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.27
Rot. Bonds3

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

6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine (PubChem CID 130086595) has the molecular formula C7H4ClF2IN2O2 and a molecular weight of 348.47 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
PubChem CID130086595
Molecular FormulaC7H4ClF2IN2O2
Molecular Weight348.47 g/mol
Exact Mass347.90
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
SMILESO=[N+]([O-])c1cc(CCl)nc(C(F)F)c1I
InChIInChI=1S/C7H4ClF2IN2O2/c8-2-3-1-4(13(14)15)5(11)6(12-3)7(9)10/h1,7H,2H2
InChIKeyYCTBVHWUFAYSHA-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

3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
2-(chloromethyl)-6-(difluoromethyl)-3-iodo-4-nitropyridine
CID 118838108
5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-nitropyridine
CID 130086614
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
2-(difluoromethyl)-6-fluoro-5-iodo-3-nitropyridine
CID 118854544
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
[6-(difluoromethyl)-5-methoxy-4-nitro-2-pyridinyl]methanol
CID 118803393
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine (CID 130086595) is 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine is O=[N+]([O-])c1cc(CCl)nc(C(F)F)c1I.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine?
The InChIKey is YCTBVHWUFAYSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2IN2O2/c8-2-3-1-4(13(14)15)5(11)6(12-3)7(9)10/h1,7H,2H2.
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine?
6-(chloromethyl)-2-(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 6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine is sourced from PubChem (CID 130086595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).