(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone

C13H17ClN2O2 — CID 93417513

IUPAC(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
SMILESCC[C@H]1CO[C@H](C)CN1C(=O)c1cccnc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-10-8-18-9(2)7-16(10)13(17)11-5-4-6-15-12(11)14/h4-6,9-10H,3,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyMTPZRAWDNHRJJG-ZJUUUORDSA-N
MW268.74 g/mol
LogP2.37
Rot. Bonds2

About (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone

(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone (PubChem CID 93417513) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
PubChem CID93417513
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone
SMILESCC[C@H]1CO[C@H](C)CN1C(=O)c1cccnc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-3-10-8-18-9(2)7-16(10)13(17)11-5-4-6-15-12(11)14/h4-6,9-10H,3,7-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyMTPZRAWDNHRJJG-ZJUUUORDSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-2-methylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 63614082
(2-bromophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60628169
(4-chloro-2-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60656502
(2-chloro-5-hydroxyphenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 106501494
(2,3-difluorophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 55100198
(5-ethyl-2-methylmorpholin-4-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107721
(2-chloro-3-nitrophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 115930981
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 107523930
(5-ethyl-2-methylmorpholin-4-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 81256295
(5-ethyl-2-methylmorpholin-4-yl)-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105385751
(2-bromo-4-pyridinyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 103755584

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone (CID 93417513) is (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone is CC[C@H]1CO[C@H](C)CN1C(=O)c1cccnc1Cl.
What is the InChIKey of (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone?
The InChIKey is MTPZRAWDNHRJJG-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-3-10-8-18-9(2)7-16(10)13(17)11-5-4-6-15-12(11)14/h4-6,9-10H,3,7-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone?
(2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone has a molecular weight of 268.74 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 93417513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).