2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol

C20H19ClN2O3 — CID 143190230

IUPAC2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(C(C)Oc2cc(-c3ccc(O)cc3)cnc2N)c1O
InChIInChI=1S/C20H19ClN2O3/c1-11-3-8-16(21)18(19(11)25)12(2)26-17-9-14(10-23-20(17)22)13-4-6-15(24)7-5-13/h3-10,12,24-25H,1-2H3,(H2,22,23)
InChIKeyNKHGYBLQMWAQND-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.84
Rot. Bonds4

About 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol

2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol (PubChem CID 143190230) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol.

Molecular Properties

Compound Name2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
PubChem CID143190230
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol
SMILESCc1ccc(Cl)c(C(C)Oc2cc(-c3ccc(O)cc3)cnc2N)c1O
InChIInChI=1S/C20H19ClN2O3/c1-11-3-8-16(21)18(19(11)25)12(2)26-17-9-14(10-23-20(17)22)13-4-6-15(24)7-5-13/h3-10,12,24-25H,1-2H3,(H2,22,23)
InChIKeyNKHGYBLQMWAQND-UHFFFAOYSA-N
XLogP4.84
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol?
The IUPAC name of 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol (CID 143190230) is 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol.
What is the SMILES notation for 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol?
The canonical SMILES for 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol is Cc1ccc(Cl)c(C(C)Oc2cc(-c3ccc(O)cc3)cnc2N)c1O.
What is the InChIKey of 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol?
The InChIKey is NKHGYBLQMWAQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-11-3-8-16(21)18(19(11)25)12(2)26-17-9-14(10-23-20(17)22)13-4-6-15(24)7-5-13/h3-10,12,24-25H,1-2H3,(H2,22,23).
What are the key properties of 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol?
2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol has a molecular weight of 370.84 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-amino-5-(4-hydroxyphenyl)-3-pyridinyl]oxy]ethyl]-3-chloro-6-methylphenol is sourced from PubChem (CID 143190230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).