2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile

C15H10ClF3N2 — CID 56604853

IUPAC2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile
SMILESCC(C#N)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H10ClF3N2/c1-14(9-20,10-2-5-12(16)6-3-10)13-7-4-11(8-21-13)15(17,18)19/h2-8H,1H3
InChIKeyGMICVSHOYQZMQN-UHFFFAOYSA-N
MW310.71 g/mol
LogP4.58
Rot. Bonds2

About 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile

2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile (PubChem CID 56604853) has the molecular formula C15H10ClF3N2 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile
PubChem CID56604853
Molecular FormulaC15H10ClF3N2
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile
SMILESCC(C#N)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H10ClF3N2/c1-14(9-20,10-2-5-12(16)6-3-10)13-7-4-11(8-21-13)15(17,18)19/h2-8H,1H3
InChIKeyGMICVSHOYQZMQN-UHFFFAOYSA-N
XLogP4.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile (CID 56604853) is 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile is CC(C#N)(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile?
The InChIKey is GMICVSHOYQZMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2/c1-14(9-20,10-2-5-12(16)6-3-10)13-7-4-11(8-21-13)15(17,18)19/h2-8H,1H3.
What are the key properties of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile?
2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile has a molecular weight of 310.71 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]propanenitrile is sourced from PubChem (CID 56604853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).