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

C8H4BrF3N2 — CID 119011505

IUPAC2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(Br)ncc(C(F)F)c1F
InChIInChI=1S/C8H4BrF3N2/c9-7-4(1-2-13)6(10)5(3-14-7)8(11)12/h3,8H,1H2
InChIKeyCTGGFGLGEQGYMO-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.99
Rot. Bonds2

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

2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile (PubChem CID 119011505) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
PubChem CID119011505
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
SMILESN#CCc1c(Br)ncc(C(F)F)c1F
InChIInChI=1S/C8H4BrF3N2/c9-7-4(1-2-13)6(10)5(3-14-7)8(11)12/h3,8H,1H2
InChIKeyCTGGFGLGEQGYMO-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990969
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile
CID 119002717
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
2-bromo-5-(difluoromethyl)-4-fluoro-3-methylpyridine
CID 130109380
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile (CID 119011505) is 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile is N#CCc1c(Br)ncc(C(F)F)c1F.
What is the InChIKey of 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
The InChIKey is CTGGFGLGEQGYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/c9-7-4(1-2-13)6(10)5(3-14-7)8(11)12/h3,8H,1H2.
What are the key properties of 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile?
2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile has a molecular weight of 265.03 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119011505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).