1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone

C9H11ClN2O2 — CID 84680628

IUPAC1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)ccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-11-5-6(13)8-7(14-2)3-4-12-9(8)10/h3-4,11H,5H2,1-2H3
InChIKeyCQCLUTDNYQABSJ-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.15
Rot. Bonds4

About 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone

1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone (PubChem CID 84680628) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
PubChem CID84680628
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(OC)ccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-11-5-6(13)8-7(14-2)3-4-12-9(8)10/h3-4,11H,5H2,1-2H3
InChIKeyCQCLUTDNYQABSJ-UHFFFAOYSA-N
XLogP1.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(methylamino)ethanone
CID 82078374
1-(3-methoxypyrazin-2-yl)-2-(methylamino)ethanone
CID 116553732
methyl 2-chloro-4-(methylamino)pyridine-3-carboxylate
CID 87532805
1-(2-chloro-4-pyridinyl)-2-(methylamino)ethanone
CID 82655374
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
1-(2-chloro-3-hydroxy-4-methoxy-6-methylphenyl)-2-(methylamino)ethanone
CID 117361222
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818
1-(3,4-dimethoxy-5-methylphenyl)-2-(methylamino)ethanone
CID 117319719
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100
1-(6-ethyl-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117319733
1-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-(methylamino)ethanone
CID 117331411
2-[(3-chloropyrazin-2-yl)amino]-1-(3,4-dimethoxyphenyl)ethanone
CID 89266579

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone (CID 84680628) is 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone is CNCC(=O)c1c(OC)ccnc1Cl.
What is the InChIKey of 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone?
The InChIKey is CQCLUTDNYQABSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-5-6(13)8-7(14-2)3-4-12-9(8)10/h3-4,11H,5H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone?
1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone has a molecular weight of 214.65 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxy-3-pyridinyl)-2-(methylamino)ethanone is sourced from PubChem (CID 84680628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).