4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine

C16H17F3N2 — CID 123811453

IUPAC4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine
SMILESCc1ccnc(C(C)CCc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2/c1-11-5-7-20-14(9-11)12(2)3-4-13-6-8-21-15(10-13)16(17,18)19/h5-10,12H,3-4H2,1-2H3
InChIKeyJWOHYCKDXDWAJN-UHFFFAOYSA-N
MW294.32 g/mol
LogP4.54
Rot. Bonds4

About 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine

4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine (PubChem CID 123811453) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine
PubChem CID123811453
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine
SMILESCc1ccnc(C(C)CCc2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H17F3N2/c1-11-5-7-20-14(9-11)12(2)3-4-13-6-8-21-15(10-13)16(17,18)19/h5-10,12H,3-4H2,1-2H3
InChIKeyJWOHYCKDXDWAJN-UHFFFAOYSA-N
XLogP4.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine?
The IUPAC name of 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine (CID 123811453) is 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine?
The canonical SMILES for 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine is Cc1ccnc(C(C)CCc2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine?
The InChIKey is JWOHYCKDXDWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-11-5-7-20-14(9-11)12(2)3-4-13-6-8-21-15(10-13)16(17,18)19/h5-10,12H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine?
4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine has a molecular weight of 294.32 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]butan-2-yl]pyridine is sourced from PubChem (CID 123811453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).