[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

C17H16Cl2N2O3 — CID 56880581

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-5-4-11(8-14(13)19)16-9-21(6-7-24-16)17(23)15-3-1-2-12(10-22)20-15/h1-5,8,16,22H,6-7,9-10H2
InChIKeyHMTGTTRWWDHYNO-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.09
Rot. Bonds3

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (PubChem CID 56880581) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
PubChem CID56880581
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H16Cl2N2O3/c18-13-5-4-11(8-14(13)19)16-9-21(6-7-24-16)17(23)15-3-1-2-12(10-22)20-15/h1-5,8,16,22H,6-7,9-10H2
InChIKeyHMTGTTRWWDHYNO-UHFFFAOYSA-N
XLogP3.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (CID 56880581) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is O=C(c1cccc(CO)n1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The InChIKey is HMTGTTRWWDHYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-13-5-4-11(8-14(13)19)16-9-21(6-7-24-16)17(23)15-3-1-2-12(10-22)20-15/h1-5,8,16,22H,6-7,9-10H2.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone has a molecular weight of 367.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 56880581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).