2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile

C8H4BrF2IN2 — CID 130077319

IUPAC2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
SMILESN#Cc1c(CBr)ncc(C(F)F)c1I
InChIInChI=1S/C8H4BrF2IN2/c9-1-6-4(2-13)7(12)5(3-14-6)8(10)11/h3,8H,1H2
InChIKeyHIEOTNNARSLXJZ-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.39
Rot. Bonds2

About 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile

2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile (PubChem CID 130077319) has the molecular formula C8H4BrF2IN2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
PubChem CID130077319
Molecular FormulaC8H4BrF2IN2
Molecular Weight372.94 g/mol
Exact Mass371.86
IUPAC Name2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile
SMILESN#Cc1c(CBr)ncc(C(F)F)c1I
InChIInChI=1S/C8H4BrF2IN2/c9-1-6-4(2-13)7(12)5(3-14-6)8(10)11/h3,8H,1H2
InChIKeyHIEOTNNARSLXJZ-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130078210
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-(bromomethyl)-5-(difluoromethyl)-4-nitropyridine-3-carbonitrile
CID 130078579
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
ethyl 2-[3-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134674392
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118804476
3-bromo-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130108638
4-bromo-5-(difluoromethyl)-2-iodopyridine-3-carbonitrile
CID 118850612
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The IUPAC name of 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile (CID 130077319) is 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile is N#Cc1c(CBr)ncc(C(F)F)c1I.
What is the InChIKey of 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
The InChIKey is HIEOTNNARSLXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IN2/c9-1-6-4(2-13)7(12)5(3-14-6)8(10)11/h3,8H,1H2.
What are the key properties of 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile?
2-(bromomethyl)-5-(difluoromethyl)-4-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 2-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-3-carbonitrile is sourced from PubChem (CID 130077319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).