2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol

C20H17Cl2FN2O2 — CID 137290814

IUPAC2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
SMILESOCCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C20H17Cl2FN2O2/c21-15-3-1-4-16(22)20(15)12-9-17(14-11-13(23)5-6-18(14)27)25-19(10-12)24-7-2-8-26/h1,3-6,9-11,26-27H,2,7-8H2,(H,24,25)
InChIKeyDWUJXPVUTMNDDX-UHFFFAOYSA-N
MW407.27 g/mol
LogP5.36
Rot. Bonds6

About 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol

2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol (PubChem CID 137290814) has the molecular formula C20H17Cl2FN2O2 and a molecular weight of 407.27 g/mol. Its IUPAC name is 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
PubChem CID137290814
Molecular FormulaC20H17Cl2FN2O2
Molecular Weight407.27 g/mol
Exact Mass406.07
IUPAC Name2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
SMILESOCCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(F)ccc2O)n1
InChIInChI=1S/C20H17Cl2FN2O2/c21-15-3-1-4-16(22)20(15)12-9-17(14-11-13(23)5-6-18(14)27)25-19(10-12)24-7-2-8-26/h1,3-6,9-11,26-27H,2,7-8H2,(H,24,25)
InChIKeyDWUJXPVUTMNDDX-UHFFFAOYSA-N
XLogP5.36
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.27
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[4-(2-chloro-6-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methylphenol
CID 137306942
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290687
N-[2-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]ethyl]acetamide
CID 137290835
2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843
2-[4-(1,3-benzodioxol-4-yl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-chlorophenol
CID 137307258
2-[4-(4-chloro-3-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methoxyphenol
CID 137290858
2-[6-(3-aminopyrrolidin-1-yl)-4-(2,6-dichlorophenyl)-2-pyridinyl]-4-fluorophenol
CID 137290828
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290680
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617
2-[4-(2-chloro-6-fluorophenyl)-6-(oxolan-2-ylmethylamino)-2-pyridinyl]-5-methoxyphenol
CID 137307091
4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
CID 137306843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol?
The IUPAC name of 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol (CID 137290814) is 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol.
What is the SMILES notation for 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol?
The canonical SMILES for 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol is OCCCNc1cc(-c2c(Cl)cccc2Cl)cc(-c2cc(F)ccc2O)n1.
What is the InChIKey of 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol?
The InChIKey is DWUJXPVUTMNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2FN2O2/c21-15-3-1-4-16(22)20(15)12-9-17(14-11-13(23)5-6-18(14)27)25-19(10-12)24-7-2-8-26/h1,3-6,9-11,26-27H,2,7-8H2,(H,24,25).
What are the key properties of 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol?
2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol has a molecular weight of 407.27 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol is sourced from PubChem (CID 137290814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).