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

C17H16Cl2N2O3 — CID 95561076

IUPAC[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCO[C@@H](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/t16-/m1/s1
InChIKeyHMTGTTRWWDHYNO-MRXNPFEDSA-N
MW367.23 g/mol
LogP3.09
Rot. Bonds3

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

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (PubChem CID 95561076) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
PubChem CID95561076
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESO=C(c1cccc(CO)n1)N1CCO[C@@H](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/t16-/m1/s1
InChIKeyHMTGTTRWWDHYNO-MRXNPFEDSA-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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Related Compounds

[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
N-(6-carbamoyl-2-pyridinyl)-2-(3,4-dichlorophenyl)morpholine-4-carboxamide
CID 138995658
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[6-(1,2,4-triazol-4-yl)-2-pyridinyl]methanone
CID 95215113
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 56757209

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (CID 95561076) is [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is O=C(c1cccc(CO)n1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The InChIKey is HMTGTTRWWDHYNO-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
[(2S)-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 [(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 95561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).