(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone

C11H13ClN2O2 — CID 43429048

IUPAC(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c1-8-7-16-5-4-14(8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyJYMHPXYUQTUFKQ-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.60
Rot. Bonds1

About (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone

(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 43429048) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
PubChem CID43429048
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O2/c1-8-7-16-5-4-14(8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3
InChIKeyJYMHPXYUQTUFKQ-UHFFFAOYSA-N
XLogP1.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.60
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

(6-amino-5-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 55041929
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
(2-bromo-4-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832524
(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
[2-(methylamino)-4-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 55047498
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
CID 51938117
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
1H-indol-5-yl-(3-methylmorpholin-4-yl)methanone
CID 63717142

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone (CID 43429048) is (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is JYMHPXYUQTUFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-8-7-16-5-4-14(8)11(15)9-2-3-10(12)13-6-9/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone?
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 240.69 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 43429048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).