2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile

C8H4BrF2IN2 — CID 118804825

IUPAC2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(Br)c1I
InChIInChI=1S/C8H4BrF2IN2/c9-6-4(8(10)11)3-14-5(1-2-13)7(6)12/h3,8H,1H2
InChIKeyNWMOUXOJHFYALI-UHFFFAOYSA-N
MW372.94 g/mol
LogP3.45
Rot. Bonds2

About 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile

2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile (PubChem CID 118804825) has the molecular formula C8H4BrF2IN2 and a molecular weight of 372.94 g/mol. Its IUPAC name is 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
PubChem CID118804825
Molecular FormulaC8H4BrF2IN2
Molecular Weight372.94 g/mol
Exact Mass371.86
IUPAC Name2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(Br)c1I
InChIInChI=1S/C8H4BrF2IN2/c9-6-4(8(10)11)3-14-5(1-2-13)7(6)12/h3,8H,1H2
InChIKeyNWMOUXOJHFYALI-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087437
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
4-bromo-5-(difluoromethyl)-2,3-diiodopyridine
CID 118806090
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
[4-bromo-5-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118803013
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile (CID 118804825) is 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)F)c(Br)c1I.
What is the InChIKey of 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile?
The InChIKey is NWMOUXOJHFYALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF2IN2/c9-6-4(8(10)11)3-14-5(1-2-13)7(6)12/h3,8H,1H2.
What are the key properties of 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile?
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile has a molecular weight of 372.94 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118804825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).