2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile

C8H5BrF2N2 — CID 119017114

IUPAC2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)F)nc1Br
InChIInChI=1S/C8H5BrF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2
InChIKeyHIXKLRHHHSFVOM-UHFFFAOYSA-N
MW247.04 g/mol
LogP2.85
Rot. Bonds2

About 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119017114) has the molecular formula C8H5BrF2N2 and a molecular weight of 247.04 g/mol. Its IUPAC name is 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119017114
Molecular FormulaC8H5BrF2N2
Molecular Weight247.04 g/mol
Exact Mass245.96
IUPAC Name2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(C(F)F)nc1Br
InChIInChI=1S/C8H5BrF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2
InChIKeyHIXKLRHHHSFVOM-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 52.85
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-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
[2-bromo-6-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095088
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130108171
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
2-[2-bromo-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119022396
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[5-bromo-2-(difluoromethyl)phenyl]acetonitrile
CID 84802985
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 119017114) is 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1ccc(C(F)F)nc1Br.
What is the InChIKey of 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is HIXKLRHHHSFVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N2/c9-7-5(3-4-12)1-2-6(13-7)8(10)11/h1-2,8H,3H2.
What are the key properties of 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 247.04 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119017114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).