2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile

C8H4BrClF2N2 — CID 130108171

IUPAC2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H4BrClF2N2/c9-6-4(1-2-13)3-5(8(11)12)14-7(6)10/h3,8H,1H2
InChIKeyDAIKERIPZURGTM-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.50
Rot. Bonds2

About 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile

2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 130108171) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID130108171
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)nc(Cl)c1Br
InChIInChI=1S/C8H4BrClF2N2/c9-6-4(1-2-13)3-5(8(11)12)14-7(6)10/h3,8H,1H2
InChIKeyDAIKERIPZURGTM-UHFFFAOYSA-N
XLogP3.50
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.50
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

3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
2-[2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118999659
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
3-chloro-4-(cyanomethyl)-6-(difluoromethyl)pyridine-2-carbonitrile
CID 134669233
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130075158
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119017114
2-[2-amino-6-(difluoromethyl)-3-methyl-4-pyridinyl]acetonitrile
CID 118991220
2-[2-(difluoromethyl)-3,6-difluoro-4-pyridinyl]acetonitrile
CID 130099810
3-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonitrile
CID 130107774

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile (CID 130108171) is 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)nc(Cl)c1Br.
What is the InChIKey of 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is DAIKERIPZURGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-6-4(1-2-13)3-5(8(11)12)14-7(6)10/h3,8H,1H2.
What are the key properties of 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile?
2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 281.49 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-chloro-6-(difluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130108171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).