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

C8H6F3N3 — CID 118811281

IUPAC2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(F)c(N)c1C(F)F
InChIInChI=1S/C8H6F3N3/c9-4-3-14-5(1-2-12)6(7(4)13)8(10)11/h3,8H,1H2,(H2,13,14)
InChIKeyYXNTWNPICKLNDC-UHFFFAOYSA-N
MW201.15 g/mol
LogP1.81
Rot. Bonds2

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

2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile (PubChem CID 118811281) has the molecular formula C8H6F3N3 and a molecular weight of 201.15 g/mol. Its IUPAC name is 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
PubChem CID118811281
Molecular FormulaC8H6F3N3
Molecular Weight201.15 g/mol
Exact Mass201.05
IUPAC Name2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(F)c(N)c1C(F)F
InChIInChI=1S/C8H6F3N3/c9-4-3-14-5(1-2-12)6(7(4)13)8(10)11/h3,8H,1H2,(H2,13,14)
InChIKeyYXNTWNPICKLNDC-UHFFFAOYSA-N
XLogP1.81
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130081801
2-[4-amino-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetonitrile
CID 130106921
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
CID 130104808
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
2-[2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 130081759
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
2-[3-(difluoromethyl)-2,5-difluoro-4-pyridinyl]acetonitrile
CID 130099807
2-[5-bromo-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130069322
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile (CID 118811281) is 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile is N#CCc1ncc(F)c(N)c1C(F)F.
What is the InChIKey of 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile?
The InChIKey is YXNTWNPICKLNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3/c9-4-3-14-5(1-2-12)6(7(4)13)8(10)11/h3,8H,1H2,(H2,13,14).
What are the key properties of 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile?
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile has a molecular weight of 201.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118811281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).