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

C8H4BrF3N2 — CID 130109640

IUPAC2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(F)c1Br
InChIInChI=1S/C8H4BrF3N2/c9-6-5(1-2-13)14-3-4(7(6)10)8(11)12/h3,8H,1H2
InChIKeyHUSYKSADWWLRQN-UHFFFAOYSA-N
MW265.03 g/mol
LogP2.99
Rot. Bonds2

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

2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile (PubChem CID 130109640) has the molecular formula C8H4BrF3N2 and a molecular weight of 265.03 g/mol. Its IUPAC name is 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
PubChem CID130109640
Molecular FormulaC8H4BrF3N2
Molecular Weight265.03 g/mol
Exact Mass263.95
IUPAC Name2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)F)c(F)c1Br
InChIInChI=1S/C8H4BrF3N2/c9-6-5(1-2-13)14-3-4(7(6)10)8(11)12/h3,8H,1H2
InChIKeyHUSYKSADWWLRQN-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

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Related Compounds

2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 119011505
2-[3-bromo-2-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070225
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010
2-(cyanomethyl)-5-(difluoromethyl)-3-iodopyridine-4-carbonitrile
CID 130077493
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile (CID 130109640) is 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)F)c(F)c1Br.
What is the InChIKey of 2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is HUSYKSADWWLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2/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-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile?
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-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-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130109640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).