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

C22H20Cl2N2O3 — CID 137290626

IUPAC1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2cc(-c3c(Cl)cccc3Cl)cc(N3CCC(O)C3)n2)c(O)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-29-15-5-6-16(20(28)11-15)19-9-13(22-17(23)3-2-4-18(22)24)10-21(25-19)26-8-7-14(27)12-26/h2-6,9-11,14,27-28H,7-8,12H2,1H3
InChIKeyNPCFGHGFNDCJMI-UHFFFAOYSA-N
MW431.32 g/mol
LogP5.01
Rot. Bonds4

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

1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 137290626) has the molecular formula C22H20Cl2N2O3 and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID137290626
Molecular FormulaC22H20Cl2N2O3
Molecular Weight431.32 g/mol
Exact Mass430.09
IUPAC Name1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESCOc1ccc(-c2cc(-c3c(Cl)cccc3Cl)cc(N3CCC(O)C3)n2)c(O)c1
InChIInChI=1S/C22H20Cl2N2O3/c1-29-15-5-6-16(20(28)11-15)19-9-13(22-17(23)3-2-4-18(22)24)10-21(25-19)26-8-7-14(27)12-26/h2-6,9-11,14,27-28H,7-8,12H2,1H3
InChIKeyNPCFGHGFNDCJMI-UHFFFAOYSA-N
XLogP5.01
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.32
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,5-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137290561
2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
2-[4-(4-chloro-3-fluorophenyl)-6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-5-methoxyphenol
CID 137290854
2-[4-(2-chloro-6-fluorophenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307091
2-[4-(2-chloro-6-fluorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]-4-methylphenol
CID 137306802
1-[6-(5-bromo-2-hydroxyphenyl)-4-(3-fluorophenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137307060
1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50953364
(3R)-1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95122048
1-[4-(1,3-benzodioxol-4-yl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]pyrrolidin-3-ol
CID 137307121
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol (CID 137290626) is 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol is COc1ccc(-c2cc(-c3c(Cl)cccc3Cl)cc(N3CCC(O)C3)n2)c(O)c1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is NPCFGHGFNDCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3/c1-29-15-5-6-16(20(28)11-15)19-9-13(22-17(23)3-2-4-18(22)24)10-21(25-19)26-8-7-14(27)12-26/h2-6,9-11,14,27-28H,7-8,12H2,1H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol?
1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 431.32 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)-6-(2-hydroxy-4-methoxyphenyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 137290626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).