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

C8H4BrClF2N2 — CID 130108175

IUPAC2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C8H4BrClF2N2/c9-6-5(1-2-13)14-3-4(7(6)10)8(11)12/h3,8H,1H2
InChIKeyOTKFISYGGLDSQC-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.50
Rot. Bonds2

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

2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130108175) has the molecular formula C8H4BrClF2N2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130108175
Molecular FormulaC8H4BrClF2N2
Molecular Weight281.49 g/mol
Exact Mass279.92
IUPAC Name2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(Cl)c1Br
InChIInChI=1S/C8H4BrClF2N2/c9-6-5(1-2-13)14-3-4(7(6)10)8(11)12/h3,8H,1H2
InChIKeyOTKFISYGGLDSQC-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

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Related Compounds

2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
2-[3-chloro-4-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075523
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
2-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118810078
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
3-bromo-4-chloro-5-(difluoromethyl)-2-fluoropyridine
CID 130107809
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087437

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130108175) is 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)F)c(Cl)c1Br.
What is the InChIKey of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is OTKFISYGGLDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClF2N2/c9-6-5(1-2-13)14-3-4(7(6)10)8(11)12/h3,8H,1H2.
What are the key properties of 2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-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-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130108175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).