3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine

C15H14ClFN2 — CID 155988659

IUPAC3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine
SMILESFc1cc(-c2cncc(C3CCCN3)c2)ccc1Cl
InChIInChI=1S/C15H14ClFN2/c16-13-4-3-10(7-14(13)17)11-6-12(9-18-8-11)15-2-1-5-19-15/h3-4,6-9,15,19H,1-2,5H2
InChIKeyZQWKMIKJHBFLII-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.97
Rot. Bonds2

About 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine

3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine (PubChem CID 155988659) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine
PubChem CID155988659
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine
SMILESFc1cc(-c2cncc(C3CCCN3)c2)ccc1Cl
InChIInChI=1S/C15H14ClFN2/c16-13-4-3-10(7-14(13)17)11-6-12(9-18-8-11)15-2-1-5-19-15/h3-4,6-9,15,19H,1-2,5H2
InChIKeyZQWKMIKJHBFLII-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 154733314
2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
CID 171687576
3-(4-fluorophenoxy)-5-[(2S)-pyrrolidin-2-yl]pyridine
CID 58191778
5-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55276544
3-bromo-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487206
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
3-(3,4-dihydro-2H-pyrrol-2-yl)-5-pyrrolidin-2-ylpyridine
CID 163261196
3-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 130624742
5-pyrrolidin-2-ylpyridine-3-carbaldehyde
CID 123459636
[5-[(2S)-pyrrolidin-2-yl]-3-pyridinyl]boronic acid
CID 124671778
3-(4-fluorophenoxy)-5-piperidin-2-ylpyridine
CID 143912807

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine (CID 155988659) is 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine is Fc1cc(-c2cncc(C3CCCN3)c2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine?
The InChIKey is ZQWKMIKJHBFLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2/c16-13-4-3-10(7-14(13)17)11-6-12(9-18-8-11)15-2-1-5-19-15/h3-4,6-9,15,19H,1-2,5H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine?
3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine has a molecular weight of 276.74 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine is sourced from PubChem (CID 155988659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).