3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine

C11H14ClFN2 — CID 106640481

IUPAC3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
SMILESFC(Cc1ccncc1Cl)C1CCCN1
InChIInChI=1S/C11H14ClFN2/c12-9-7-14-5-3-8(9)6-10(13)11-2-1-4-15-11/h3,5,7,10-11,15H,1-2,4,6H2
InChIKeyFDZYVOVQOUHJEX-UHFFFAOYSA-N
MW228.70 g/mol
LogP2.37
Rot. Bonds3

About 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine

3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine (PubChem CID 106640481) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine.

Molecular Properties

Compound Name3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
PubChem CID106640481
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine
SMILESFC(Cc1ccncc1Cl)C1CCCN1
InChIInChI=1S/C11H14ClFN2/c12-9-7-14-5-3-8(9)6-10(13)11-2-1-4-15-11/h3,5,7,10-11,15H,1-2,4,6H2
InChIKeyFDZYVOVQOUHJEX-UHFFFAOYSA-N
XLogP2.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromo-2-chlorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640462
2-[2-(2-chloro-4-methylphenyl)-1-fluoroethyl]pyrrolidine
CID 106871141
4-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640524
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
3-chloro-4-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 112655896
3-chloro-4-[2-chloro-2-(3-methyloxolan-2-yl)ethyl]pyridine
CID 112655937
2-[1-fluoro-2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine
CID 106640209
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
3-chloro-4-[2-chloro-2-[3-(trifluoromethyl)cyclohexyl]ethyl]pyridine
CID 115985083

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine?
The IUPAC name of 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine (CID 106640481) is 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine.
What is the SMILES notation for 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine?
The canonical SMILES for 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine is FC(Cc1ccncc1Cl)C1CCCN1.
What is the InChIKey of 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine?
The InChIKey is FDZYVOVQOUHJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-9-7-14-5-3-8(9)6-10(13)11-2-1-4-15-11/h3,5,7,10-11,15H,1-2,4,6H2.
What are the key properties of 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine?
3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine has a molecular weight of 228.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluoro-2-pyrrolidin-2-ylethyl)pyridine is sourced from PubChem (CID 106640481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).