3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine

C12H14ClF3N2O — CID 114796299

IUPAC3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O/c13-10-5-9(12(14,15)16)7-18-11(10)19-4-2-8-1-3-17-6-8/h5,7-8,17H,1-4,6H2
InChIKeyNXBZCNSWBZGAQL-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine (PubChem CID 114796299) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
PubChem CID114796299
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OCCC2CCNC2)c(Cl)c1
InChIInChI=1S/C12H14ClF3N2O/c13-10-5-9(12(14,15)16)7-18-11(10)19-4-2-8-1-3-17-6-8/h5,7-8,17H,1-4,6H2
InChIKeyNXBZCNSWBZGAQL-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
3-chloro-2-(pyrrolidin-3-yloxymethyl)-5-(trifluoromethyl)pyridine;hydrochloride
CID 126843079
5-iodo-4-(2-pyrrolidin-3-ylethoxy)pyrimidine
CID 114796262

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine (CID 114796299) is 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(OCCC2CCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine?
The InChIKey is NXBZCNSWBZGAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c13-10-5-9(12(14,15)16)7-18-11(10)19-4-2-8-1-3-17-6-8/h5,7-8,17H,1-4,6H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine has a molecular weight of 294.70 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 114796299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).