5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine

C16H15ClF3N3O — CID 167924220

IUPAC5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cnc1N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C16H15ClF3N3O/c17-11-7-14(16(18,19)20)15(22-8-11)23-6-4-13(9-23)24-10-12-3-1-2-5-21-12/h1-3,5,7-8,13H,4,6,9-10H2
InChIKeyNTXRJNNFJFPXDO-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.94
Rot. Bonds4

About 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine

5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine (PubChem CID 167924220) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
PubChem CID167924220
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Cl)cnc1N1CCC(OCc2ccccn2)C1
InChIInChI=1S/C16H15ClF3N3O/c17-11-7-14(16(18,19)20)15(22-8-11)23-6-4-13(9-23)24-10-12-3-1-2-5-21-12/h1-3,5,7-8,13H,4,6,9-10H2
InChIKeyNTXRJNNFJFPXDO-UHFFFAOYSA-N
XLogP3.94
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 68325622
(RS)-5-chloro-N-(5-(morpholin-2-yl)pyridin-2-yl)pyridin-2-amine
CID 68325566
3-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 68325829
US9840501, Example 103
CID 118484952
2-(5-chloro-2-pyridinyl)-7-[(4-fluorophenyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 21706403
{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}methanol
CID 2763496
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-fluorophenyl)morpholine
CID 36726619
1-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrol-2-yl}-1-ethanol
CID 3829196
(7S,8aS)-7-(4-Fluorobenzyl)oxy-2-(5-chloropyridin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886060
2-Chloro-6-[4-isopropyl-2-(2-pyridyl)oxazolidin-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58265074
2-Chloro-6-[5-ethyl-2-(2-pyridyl)oxazolidin-3-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58265078
2-Chloro-6-(4-methyl-2-pyridin-2-yl-1,3-oxazolidin-3-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58265082

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine (CID 167924220) is 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Cl)cnc1N1CCC(OCc2ccccn2)C1.
What is the InChIKey of 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is NTXRJNNFJFPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c17-11-7-14(16(18,19)20)15(22-8-11)23-6-4-13(9-23)24-10-12-3-1-2-5-21-12/h1-3,5,7-8,13H,4,6,9-10H2.
What are the key properties of 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine?
5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 357.76 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 167924220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).