2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide

C9H10ClN3O2 — CID 175634824

IUPAC2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide
SMILESC=NN(C)C(=O)COc1cccnc1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-13(2)8(14)6-15-7-4-3-5-12-9(7)10/h3-5H,1,6H2,2H3
InChIKeyLNMGSDCTIPXGKM-UHFFFAOYSA-N
MW227.65 g/mol
LogP1.19
Rot. Bonds4

About 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide

2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide (PubChem CID 175634824) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide
PubChem CID175634824
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide
SMILESC=NN(C)C(=O)COc1cccnc1Cl
InChIInChI=1S/C9H10ClN3O2/c1-11-13(2)8(14)6-15-7-4-3-5-12-9(7)10/h3-5H,1,6H2,2H3
InChIKeyLNMGSDCTIPXGKM-UHFFFAOYSA-N
XLogP1.19
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-chloro-3-pyridinyl)oxy]-N,N-dimethylbutanamide
CID 65101759
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
1-(3-bromophenyl)-2-[(2-chloro-3-pyridinyl)oxy]ethanone
CID 166021386
(2-chloro-3-pyridinyl) 4-ethoxybutanoate
CID 71930736
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 65102205
(2-chloro-3-pyridinyl) 2-hydroxypropanoate
CID 131201350
2-chloro-3-(2-ethylsulfanylethoxy)pyridine
CID 115646957
4-[2-[(2-chloro-3-pyridinyl)oxy]acetyl]-5-methylfuran-2-carboxamide
CID 75373014
2-[(2-chloro-3-pyridinyl)oxy]-1-(1-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 89148514
2-chloro-3-(2-fluoroethoxy)pyridine
CID 79035180
3-ethoxypyridine-2-carbonyl chloride
CID 142800977

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide (CID 175634824) is 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide is C=NN(C)C(=O)COc1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide?
The InChIKey is LNMGSDCTIPXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-11-13(2)8(14)6-15-7-4-3-5-12-9(7)10/h3-5H,1,6H2,2H3.
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide?
2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide has a molecular weight of 227.65 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxy]-N-methyl-N-(methylideneamino)acetamide is sourced from PubChem (CID 175634824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).