(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone

C12H15ClN2O3 — CID 172648268

IUPAC(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCOC(C)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O3/c1-8-7-15(3-4-18-8)12(16)9-5-10(13)14-11(6-9)17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZMHPSCRQKBKYEA-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.60
Rot. Bonds2

About (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone

(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 172648268) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
PubChem CID172648268
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCOC(C)C2)cc(Cl)n1
InChIInChI=1S/C12H15ClN2O3/c1-8-7-15(3-4-18-8)12(16)9-5-10(13)14-11(6-9)17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyZMHPSCRQKBKYEA-UHFFFAOYSA-N
XLogP1.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3874973
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86846041
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(3-amino-4-methoxyphenyl)-(2-methylmorpholin-4-yl)methanone
CID 16775016
(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 84575957
4-[2-chloro-6-(methylamino)pyridine-4-carbonyl]morpholine-2-carbonitrile
CID 78954257
(2,5-dichloro-4-pyridinyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172648286
(2-amino-6-ethyl-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 113380956

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone (CID 172648268) is (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone is COc1cc(C(=O)N2CCOC(C)C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is ZMHPSCRQKBKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-7-15(3-4-18-8)12(16)9-5-10(13)14-11(6-9)17-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone?
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 270.72 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 172648268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).