5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

C8H4BrF2IN2 — CID 130077346

IUPAC5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)nc1I
InChIInChI=1S/C8H4BrF2IN2/c9-2-4-1-5(3-13)8(12)14-6(4)7(10)11/h1,7H,2H2
InChIKeyNQBWWLGQDPGTBR-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.39
Rot. Bonds2

About 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile

5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (PubChem CID 130077346) has the molecular formula C8H4BrF2IN2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
PubChem CID130077346
Molecular FormulaC8H4BrF2IN2
Molecular Weight372.94 g/mol
Exact Mass371.86
IUPAC Name5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(CBr)c(C(F)F)nc1I
InChIInChI=1S/C8H4BrF2IN2/c9-2-4-1-5(3-13)8(12)14-6(4)7(10)11/h1,7H,2H2
InChIKeyNQBWWLGQDPGTBR-UHFFFAOYSA-N
XLogP3.39
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.94
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
2-(bromomethyl)-6-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118826974
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
6-bromo-3-(bromomethyl)-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130108796
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
5-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridine
CID 130087042
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-(difluoromethyl)-3-fluoro-6-iodopyridine-4-carbonitrile
CID 118850770

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The IUPAC name of 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile (CID 130077346) is 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile.
What is the SMILES notation for 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The canonical SMILES for 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is N#Cc1cc(CBr)c(C(F)F)nc1I.
What is the InChIKey of 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
The InChIKey is NQBWWLGQDPGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IN2/c9-2-4-1-5(3-13)8(12)14-6(4)7(10)11/h1,7H,2H2.
What are the key properties of 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile?
5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile has a molecular weight of 372.94 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130077346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).