6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine

C16H16F3N3 — CID 130473517

IUPAC6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
SMILESCc1cncc(-c2ccc(N3CCCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H16F3N3/c1-11-8-12(10-20-9-11)13-4-5-14(22-6-2-3-7-22)15(21-13)16(17,18)19/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyBZGLCMBBJOBBIA-UHFFFAOYSA-N
MW307.32 g/mol
LogP4.07
Rot. Bonds2

About 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine

6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine (PubChem CID 130473517) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
PubChem CID130473517
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine
SMILESCc1cncc(-c2ccc(N3CCCC3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H16F3N3/c1-11-8-12(10-20-9-11)13-4-5-14(22-6-2-3-7-22)15(21-13)16(17,18)19/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyBZGLCMBBJOBBIA-UHFFFAOYSA-N
XLogP4.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine (CID 130473517) is 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine is Cc1cncc(-c2ccc(N3CCCC3)c(C(F)(F)F)n2)c1.
What is the InChIKey of 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
The InChIKey is BZGLCMBBJOBBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c1-11-8-12(10-20-9-11)13-4-5-14(22-6-2-3-7-22)15(21-13)16(17,18)19/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine?
6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine has a molecular weight of 307.32 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-pyridinyl)-3-pyrrolidin-1-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130473517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).