2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile

C13H8F3N3 — CID 131870344

IUPAC2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)cc1-c1cccnc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)10-6-11(9-2-1-5-18-7-9)12(3-4-17)19-8-10/h1-2,5-8H,3H2
InChIKeyAHPALEYOQQCEAU-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.23
Rot. Bonds2

About 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 131870344) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID131870344
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(C(F)(F)F)cc1-c1cccnc1
InChIInChI=1S/C13H8F3N3/c14-13(15,16)10-6-11(9-2-1-5-18-7-9)12(3-4-17)19-8-10/h1-2,5-8H,3H2
InChIKeyAHPALEYOQQCEAU-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 46315397
2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
[3-phenyl-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118812916
2-[3-pyridin-3-yl-4-(trifluoromethyl)phenyl]acetonitrile
CID 46316261
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
3-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]pyridine
CID 46316443
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870150
2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368
[3-(2-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870563

Frequently Asked Questions

What is the IUPAC name of 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 131870344) is 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1ncc(C(F)(F)F)cc1-c1cccnc1.
What is the InChIKey of 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is AHPALEYOQQCEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-13(15,16)10-6-11(9-2-1-5-18-7-9)12(3-4-17)19-8-10/h1-2,5-8H,3H2.
What are the key properties of 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 263.22 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-pyridin-3-yl-5-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 131870344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).