4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile

C15H12F3N3 — CID 146613152

IUPAC4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCc1c(-c2ccnc(C#N)c2)cnc(C(F)(F)F)c1C
InChIInChI=1S/C15H12F3N3/c1-3-12-9(2)14(15(16,17)18)21-8-13(12)10-4-5-20-11(6-10)7-19/h4-6,8H,3H2,1-2H3
InChIKeyNQBHDQZQNMIFHR-UHFFFAOYSA-N
MW291.28 g/mol
LogP3.90
Rot. Bonds2

About 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile

4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 146613152) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID146613152
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCc1c(-c2ccnc(C#N)c2)cnc(C(F)(F)F)c1C
InChIInChI=1S/C15H12F3N3/c1-3-12-9(2)14(15(16,17)18)21-8-13(12)10-4-5-20-11(6-10)7-19/h4-6,8H,3H2,1-2H3
InChIKeyNQBHDQZQNMIFHR-UHFFFAOYSA-N
XLogP3.90
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile (CID 146613152) is 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile is CCc1c(-c2ccnc(C#N)c2)cnc(C(F)(F)F)c1C.
What is the InChIKey of 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is NQBHDQZQNMIFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-3-12-9(2)14(15(16,17)18)21-8-13(12)10-4-5-20-11(6-10)7-19/h4-6,8H,3H2,1-2H3.
What are the key properties of 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile?
4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 291.28 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-5-methyl-6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 146613152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).