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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Related Compounds

(9R)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,6,8-triazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 163662937
5,10-dimethyl-2-[5-(trifluoromethyl)-3-pyridinyl]-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocine
CID 137401189
N-[6-(5-methyl-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]propanamide
CID 145373033
5-ethyl-2-(5-methyl-3-pyridinyl)-7,8,9,10-tetrahydro-6H-pyrido[2,3-b][1,4]diazocine
CID 134254363
N-methyl-5-piperidin-1-yl-6-(trifluoromethyl)pyridine-2-carboxamide
CID 172768945
3-[6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)-3-pyridinyl]-5-methyl-1,3,5-oxadiazinan-4-one
CID 130453696
N-[1-[2-[5-(1,1-difluoroethyl)-3-pyridinyl]-5-methyl-6,7,8,9-tetrahydropyrido[2,3-b][1,4]diazocin-10-yl]ethenyl]-5-methylpyridin-3-amine
CID 137400804
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
6-(5-fluoro-3-pyridinyl)-N,N-dimethyl-2-(trifluoromethyl)pyridin-3-amine
CID 130453759
N-ethyl-6-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716835
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-piperidin-1-yl-6-(trifluoromethyl)-2-pyridinyl]prop-2-en-1-ol
CID 162729808
3-methyl-5-(4-methyl-2-pyridinyl)pyridine
CID 54101301

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).