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

C9H6F5N3 — CID 134685819

IUPAC2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)cnc(C(F)(F)F)c1N
InChIInChI=1S/C9H6F5N3/c10-8(11)5-3-17-7(9(12,13)14)6(16)4(5)1-2-15/h3,8H,1,16H2
InChIKeyUFNQFEOREUBNHB-UHFFFAOYSA-N
MW251.16 g/mol
LogP2.69
Rot. Bonds2

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

2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 134685819) has the molecular formula C9H6F5N3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID134685819
Molecular FormulaC9H6F5N3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(C(F)F)cnc(C(F)(F)F)c1N
InChIInChI=1S/C9H6F5N3/c10-8(11)5-3-17-7(9(12,13)14)6(16)4(5)1-2-15/h3,8H,1,16H2
InChIKeyUFNQFEOREUBNHB-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-[3-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134685821
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
2-[5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 171029480
5-(difluoromethyl)-3-fluoro-2-(trifluoromethyl)pyridin-4-amine
CID 118829110
2-[5-amino-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 130663375
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133100295
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile (CID 134685819) is 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1c(C(F)F)cnc(C(F)(F)F)c1N.
What is the InChIKey of 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is UFNQFEOREUBNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5N3/c10-8(11)5-3-17-7(9(12,13)14)6(16)4(5)1-2-15/h3,8H,1,16H2.
What are the key properties of 2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile?
2-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-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-[3-amino-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 134685819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).