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

C7H2BrF2IN2 — CID 130108635

IUPAC3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H2BrF2IN2/c8-3-1-4(11)6(7(9)10)13-5(3)2-12/h1,7H
InChIKeySDSVEGFMASRXDX-UHFFFAOYSA-N
MW358.91 g/mol
LogP3.26
Rot. Bonds1

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

3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile (PubChem CID 130108635) has the molecular formula C7H2BrF2IN2 and a molecular weight of 358.91 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
PubChem CID130108635
Molecular FormulaC7H2BrF2IN2
Molecular Weight358.91 g/mol
Exact Mass357.84
IUPAC Name3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H2BrF2IN2/c8-3-1-4(11)6(7(9)10)13-5(3)2-12/h1,7H
InChIKeySDSVEGFMASRXDX-UHFFFAOYSA-N
XLogP3.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077423
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109029
ethyl 2-[2-cyano-6-(difluoromethyl)-5-iodo-3-pyridinyl]acetate
CID 134674384
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
CID 130110747
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
6-bromo-2-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108627
5,6-dibromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130098862
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile (CID 130108635) is 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile is N#Cc1nc(C(F)F)c(I)cc1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
The InChIKey is SDSVEGFMASRXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF2IN2/c8-3-1-4(11)6(7(9)10)13-5(3)2-12/h1,7H.
What are the key properties of 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile?
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile has a molecular weight of 358.91 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130108635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).