1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol

C22H20Cl2N2O2 — CID 137290561

IUPAC1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCc1ccc(O)c(-c2cc(-c3cc(Cl)cc(Cl)c3)cc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-13-2-3-21(28)19(6-13)20-9-15(14-7-16(23)11-17(24)8-14)10-22(25-20)26-5-4-18(27)12-26/h2-3,6-11,18,27-28H,4-5,12H2,1H3
InChIKeyRMONADGONOGYPS-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.31
Rot. Bonds3

About 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol

1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 137290561) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID137290561
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCc1ccc(O)c(-c2cc(-c3cc(Cl)cc(Cl)c3)cc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-13-2-3-21(28)19(6-13)20-9-15(14-7-16(23)11-17(24)8-14)10-22(25-20)26-5-4-18(27)12-26/h2-3,6-11,18,27-28H,4-5,12H2,1H3
InChIKeyRMONADGONOGYPS-UHFFFAOYSA-N
XLogP5.31
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137307121
1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137290626
1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137307060
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802
2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
(3R)-1-[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 156866137
4-chloro-2-[4-[2-(difluoromethoxy)phenyl]-6-pyrrolidin-1-yl-2-pyridinyl]phenol
CID 137306851
N-[1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 137307071

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol (CID 137290561) is 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol is Cc1ccc(O)c(-c2cc(-c3cc(Cl)cc(Cl)c3)cc(N3CCC(O)C3)n2)c1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is RMONADGONOGYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-13-2-3-21(28)19(6-13)20-9-15(14-7-16(23)11-17(24)8-14)10-22(25-20)26-5-4-18(27)12-26/h2-3,6-11,18,27-28H,4-5,12H2,1H3.
What are the key properties of 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 415.32 g/mol, XLogP of 5.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 137290561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).