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

C9H6F5N3 — CID 118812030

IUPAC2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C9H6F5N3/c10-8(11)6-5(1-2-15)17-3-4(7(6)16)9(12,13)14/h3,8H,1H2,(H2,16,17)
InChIKeyBJIPRTNBMODFEH-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.69
Rot. Bonds2

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

2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 118812030) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID118812030
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)c(N)c1C(F)F
InChIInChI=1S/C9H6F5N3/c10-8(11)6-5(1-2-15)17-3-4(7(6)16)9(12,13)14/h3,8H,1H2,(H2,16,17)
InChIKeyBJIPRTNBMODFEH-UHFFFAOYSA-N
XLogP2.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
2-[2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118849533
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2,4-diamine
CID 119006850
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-[3-(difluoromethyl)-2-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133100436
2-[4-(difluoromethyl)-5-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118840572
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-amine
CID 130102000
2-[2-bromo-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119003826
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
2-[3-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133098584
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 118812030) is 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)(F)F)c(N)c1C(F)F.
What is the InChIKey of 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is BJIPRTNBMODFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c10-8(11)6-5(1-2-15)17-3-4(7(6)16)9(12,13)14/h3,8H,1H2,(H2,16,17).
What are the key properties of 2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 251.16 g/mol, XLogP of 2.69, 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-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118812030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).