4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine

C13H17F3N2 — CID 154769202

IUPAC4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCc1ccnc(CN2CCC(C)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H17F3N2/c1-10-3-5-17-11(7-10)8-18-6-4-12(2,9-18)13(14,15)16/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyWGVDJVUPDIMMOP-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.16
Rot. Bonds2

About 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine

4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 154769202) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
PubChem CID154769202
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine
SMILESCc1ccnc(CN2CCC(C)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H17F3N2/c1-10-3-5-17-11(7-10)8-18-6-4-12(2,9-18)13(14,15)16/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyWGVDJVUPDIMMOP-UHFFFAOYSA-N
XLogP3.16
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-4-amine
CID 79251522
1-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-imine
CID 131209228
4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 155949375
3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529613
1-[(4-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321690
2-[(4,4-dimethylazepan-1-yl)methyl]pyridin-4-amine
CID 79251366
1-[(4-chloro-2-pyridinyl)methyl]-4-methylazepan-4-ol
CID 107404146
2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 103729356
2-(1,1-dideuterio-2,2-dimethylpropyl)-4-methylpyridine
CID 177293620
2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
4-methyl-2-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine
CID 154778650
1-[(2-chloropyrimidin-4-yl)methyl]-3-methylpyrrolidin-3-ol
CID 130536247

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine (CID 154769202) is 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine is Cc1ccnc(CN2CCC(C)(C(F)(F)F)C2)c1.
What is the InChIKey of 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is WGVDJVUPDIMMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-10-3-5-17-11(7-10)8-18-6-4-12(2,9-18)13(14,15)16/h3,5,7H,4,6,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine?
4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 258.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-methyl-3-(trifluoromethyl)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 154769202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).