3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

C13H13F3N2O — CID 141443121

IUPAC3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1Cn1cccc1
InChIInChI=1S/C13H13F3N2O/c1-10-11(8-18-6-2-3-7-18)17-5-4-12(10)19-9-13(14,15)16/h2-7H,8-9H2,1H3
InChIKeyUNNMCJYAXRUXRD-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.18
Rot. Bonds4

About 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine

3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 141443121) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
PubChem CID141443121
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
SMILESCc1c(OCC(F)(F)F)ccnc1Cn1cccc1
InChIInChI=1S/C13H13F3N2O/c1-10-11(8-18-6-2-3-7-18)17-5-4-12(10)19-9-13(14,15)16/h2-7H,8-9H2,1H3
InChIKeyUNNMCJYAXRUXRD-UHFFFAOYSA-N
XLogP3.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanol
CID 11229760
3-methyl-2-(tetrazol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine
CID 167756005
methyl 2-[1-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]triazol-4-yl]acetate
CID 167911140
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-1H-benzimidazole
CID 169437833
2-(2,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 141359819
2-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-1-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)ethanone
CID 166824568
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl N'-(4-fluorophenyl)carbamimidothioate
CID 72725670
[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl N'-[3-(trifluoromethyl)phenyl]carbamimidothioate
CID 72724760
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfonyl]-1,3-benzothiazole
CID 169450966
1H-benzimidazol-2-yl-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-phosphanylsulfanium
CID 163985176
2-[[(1S)-cyclohexa-2,4-dien-1-yl]sulfinylmethyl]-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 141290682
bis(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole);sulfane
CID 87220564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine (CID 141443121) is 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is Cc1c(OCC(F)(F)F)ccnc1Cn1cccc1.
What is the InChIKey of 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is UNNMCJYAXRUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-10-11(8-18-6-2-3-7-18)17-5-4-12(10)19-9-13(14,15)16/h2-7H,8-9H2,1H3.
What are the key properties of 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine?
3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 270.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(pyrrol-1-ylmethyl)-4-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 141443121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).