3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine

C56H56ClF3N12 — CID 161106895

IUPAC3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine
SMILESClc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccccn1.Fc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccncc1
InChIInChI=1S/C14H14ClN3.3C14H14FN3/c15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-11-5-1-2-7-13(11)18-14(8-10-17-18)12-6-3-4-9-16-12;15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-12-3-1-2-4-14(12)18-13(7-10-17-18)11-5-8-16-9-6-11/h1-6,8,10,13,17H,7,9H2;1-7,9,14,17H,8,10H2;1-6,8,10,13,17H,7,9H2;1-6,8-9,13,17H,7,10H2
InChIKeyUJEACJOLJZUELR-UHFFFAOYSA-N
MW989.60 g/mol
LogP11.22
Rot. Bonds8

About 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine

3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine (PubChem CID 161106895) has the molecular formula C56H56ClF3N12 and a molecular weight of 989.60 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine
PubChem CID161106895
Molecular FormulaC56H56ClF3N12
Molecular Weight989.60 g/mol
Exact Mass988.44
IUPAC Name3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine
SMILESClc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccccn1.Fc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccncc1
InChIInChI=1S/C14H14ClN3.3C14H14FN3/c15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-11-5-1-2-7-13(11)18-14(8-10-17-18)12-6-3-4-9-16-12;15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-12-3-1-2-4-14(12)18-13(7-10-17-18)11-5-8-16-9-6-11/h1-6,8,10,13,17H,7,9H2;1-7,9,14,17H,8,10H2;1-6,8,10,13,17H,7,9H2;1-6,8-9,13,17H,7,10H2
InChIKeyUJEACJOLJZUELR-UHFFFAOYSA-N
XLogP11.22
TPSA112.64 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.60
LogP ≤ 511.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine with MolForge

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764128
1-(2-fluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120731172
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
bis(3-(1-methylpyrrolidin-2-yl)pyridine);bis(2-pyridin-2-ylpyridine);ruthenium(2+);dichloride
CID 146156792
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764094
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
(5R,7S)-7-(4-chlorophenyl)-5-pyridin-3-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136664037
1-(2,4-dichloro-3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763688
2-pyridin-3-ylpiperidin-1-amine
CID 5026347

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine?
The IUPAC name of 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine (CID 161106895) is 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine?
The canonical SMILES for 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine is Clc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccccn1.Fc1ccccc1N1NCCC1c1cccnc1.Fc1ccccc1N1NCCC1c1ccncc1.
What is the InChIKey of 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine?
The InChIKey is UJEACJOLJZUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3.3C14H14FN3/c15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-11-5-1-2-7-13(11)18-14(8-10-17-18)12-6-3-4-9-16-12;15-12-5-1-2-6-14(12)18-13(7-9-17-18)11-4-3-8-16-10-11;15-12-3-1-2-4-14(12)18-13(7-10-17-18)11-5-8-16-9-6-11/h1-6,8,10,13,17H,7,9H2;1-7,9,14,17H,8,10H2;1-6,8,10,13,17H,7,9H2;1-6,8-9,13,17H,7,10H2.
What are the key properties of 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine?
3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine has a molecular weight of 989.60 g/mol, XLogP of 11.22, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)pyrazolidin-3-yl]pyridine;2-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;3-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine;4-[2-(2-fluorophenyl)pyrazolidin-3-yl]pyridine is sourced from PubChem (CID 161106895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).