6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C18H28FN3O2 — CID 54041770

IUPAC6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1ccc(CF)nc1OC[C@@H]1CCCN1C
InChIInChI=1S/C18H28FN3O2/c1-21-9-3-5-15(21)12-23-17-8-7-14(11-19)20-18(17)24-13-16-6-4-10-22(16)2/h7-8,15-16H,3-6,9-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyLMWBCEPZTFAHCU-HOTGVXAUSA-N
MW337.44 g/mol
LogP2.50
Rot. Bonds7

About 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine

6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54041770) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54041770
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESCN1CCC[C@H]1COc1ccc(CF)nc1OC[C@@H]1CCCN1C
InChIInChI=1S/C18H28FN3O2/c1-21-9-3-5-15(21)12-23-17-8-7-14(11-19)20-18(17)24-13-16-6-4-10-22(16)2/h7-8,15-16H,3-6,9-13H2,1-2H3/t15-,16-/m0/s1
InChIKeyLMWBCEPZTFAHCU-HOTGVXAUSA-N
XLogP2.50
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-3-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560219
2-Methyl-5-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}pyridine
CID 44318904
2-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 67585976
4-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 122185347
(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137652873
2-Methyl-3-((R)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 10560220
(6R)-4-cyclobutyl-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
CID 75536860
(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
(3S)-3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137639020
(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137650643
(3R)-3-[(2S)-1-methylpyrrolidin-2-yl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 137658577
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020

Frequently Asked Questions

What is the IUPAC name of 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54041770) is 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is CN1CCC[C@H]1COc1ccc(CF)nc1OC[C@@H]1CCCN1C.
What is the InChIKey of 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is LMWBCEPZTFAHCU-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-21-9-3-5-15(21)12-23-17-8-7-14(11-19)20-18(17)24-13-16-6-4-10-22(16)2/h7-8,15-16H,3-6,9-13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 337.44 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54041770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).