2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride

C15H15Cl2FN2 — CID 171687576

IUPAC2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
SMILESCl.Fc1cc(-c2cccc(C3CCCN3)n2)ccc1Cl
InChIInChI=1S/C15H14ClFN2.ClH/c16-11-7-6-10(9-12(11)17)13-3-1-4-15(19-13)14-5-2-8-18-14;/h1,3-4,6-7,9,14,18H,2,5,8H2;1H
InChIKeyLRRWLPISGANDQJ-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.39
Rot. Bonds2

About 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride

2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride (PubChem CID 171687576) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
PubChem CID171687576
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride
SMILESCl.Fc1cc(-c2cccc(C3CCCN3)n2)ccc1Cl
InChIInChI=1S/C15H14ClFN2.ClH/c16-11-7-6-10(9-12(11)17)13-3-1-4-15(19-13)14-5-2-8-18-14;/h1,3-4,6-7,9,14,18H,2,5,8H2;1H
InChIKeyLRRWLPISGANDQJ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[(2R)-pyrrolidin-2-yl]pyridine
CID 131118553
3-(4-chloro-3-fluorophenyl)-5-pyrrolidin-2-ylpyridine
CID 155988659
2-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-2-ylpyridine
CID 110101884
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
2-(3-chlorophenyl)-5-pyrrolidin-2-ylpyrazine
CID 155988895
2-[(4-chlorophenyl)methyl]-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816697
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
CID 62539823
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride (CID 171687576) is 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride is Cl.Fc1cc(-c2cccc(C3CCCN3)n2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride?
The InChIKey is LRRWLPISGANDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2.ClH/c16-11-7-6-10(9-12(11)17)13-3-1-4-15(19-13)14-5-2-8-18-14;/h1,3-4,6-7,9,14,18H,2,5,8H2;1H.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride?
2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride has a molecular weight of 313.20 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-6-pyrrolidin-2-ylpyridine;hydrochloride is sourced from PubChem (CID 171687576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).