2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane

C11H10F6N2 — CID 162523537

IUPAC2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
SMILESCC.N#CCc1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C9H4F6N2.C2H6/c10-8(11,12)6-3-5(1-2-16)4-7(17-6)9(13,14)15;1-2/h3-4H,1H2;1-2H3
InChIKeyQCJRFHLVVKXPIZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.21
Rot. Bonds1

About 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane

2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane (PubChem CID 162523537) has the molecular formula C11H10F6N2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane.

Molecular Properties

Compound Name2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
PubChem CID162523537
Molecular FormulaC11H10F6N2
Molecular Weight284.20 g/mol
Exact Mass284.07
IUPAC Name2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane
SMILESCC.N#CCc1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C9H4F6N2.C2H6/c10-8(11,12)6-3-5(1-2-16)4-7(17-6)9(13,14)15;1-2/h3-4H,1H2;1-2H3
InChIKeyQCJRFHLVVKXPIZ-UHFFFAOYSA-N
XLogP4.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
2-[2,6-bis(trifluoromethyl)pyrimidin-4-yl]acetonitrile;ethane
CID 162523541
2-[4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134672891
5-(cyanomethyl)-2-(trifluoromethyl)benzene-1,3-dicarbonitrile
CID 166914554
2-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 114562023
2-[2-(difluoromethyl)-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118820470
2-[2-(bromomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134659459
4-(cyanomethyl)pyridine-2,6-dicarbonitrile
CID 166913297
2-[3-(aminomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134671444
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561
4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane?
The IUPAC name of 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane (CID 162523537) is 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane.
What is the SMILES notation for 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane?
The canonical SMILES for 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane is CC.N#CCc1cc(C(F)(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane?
The InChIKey is QCJRFHLVVKXPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F6N2.C2H6/c10-8(11,12)6-3-5(1-2-16)4-7(17-6)9(13,14)15;1-2/h3-4H,1H2;1-2H3.
What are the key properties of 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane?
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane has a molecular weight of 284.20 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetonitrile;ethane is sourced from PubChem (CID 162523537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).