2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide

C9H9ClN4O2 — CID 146298754

IUPAC2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide
SMILESN#CC(NOCc1ccc(Cl)nc1)C(N)=O
InChIInChI=1S/C9H9ClN4O2/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15/h1-2,4,7,14H,5H2,(H2,12,15)
InChIKeyARHFEZITMMCKRX-UHFFFAOYSA-N
MW240.65 g/mol
LogP0.13
Rot. Bonds5

About 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide

2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide (PubChem CID 146298754) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide
PubChem CID146298754
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide
SMILESN#CC(NOCc1ccc(Cl)nc1)C(N)=O
InChIInChI=1S/C9H9ClN4O2/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15/h1-2,4,7,14H,5H2,(H2,12,15)
InChIKeyARHFEZITMMCKRX-UHFFFAOYSA-N
XLogP0.13
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6-chloro-3-pyridinyl)methyl cyanate
CID 171428640
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
(6-chloro-3-pyridinyl)methyl N-(2,2,2-trichloroacetyl)carbamate
CID 56976750
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
ethyl (E)-3-amino-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyanoprop-2-enoate
CID 6511667
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
(6-chloro-3-pyridinyl)methyl 3-(4-propan-2-ylphenyl)propanoate
CID 60562428
(6-chloro-3-pyridinyl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30601058
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
3-(6-chloro-3-pyridinyl)-2-(2-hydroxyethylamino)propanenitrile
CID 86624867
potassium;2-amino-N-[(6-chloro-3-pyridinyl)methoxy]-2-oxoethanimidoyl cyanide;(2-amino-1-cyano-2-oxoethylidene)azanide;2-chloro-5-(chloromethyl)pyridine;hydroxide
CID 163512706
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide (CID 146298754) is 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide is N#CC(NOCc1ccc(Cl)nc1)C(N)=O.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide?
The InChIKey is ARHFEZITMMCKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c10-8-2-1-6(4-13-8)5-16-14-7(3-11)9(12)15/h1-2,4,7,14H,5H2,(H2,12,15).
What are the key properties of 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide?
2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide has a molecular weight of 240.65 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methoxyamino]-2-cyanoacetamide is sourced from PubChem (CID 146298754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).