2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide

C32H33F3N6O6 — CID 172950599

IUPAC2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO.CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(F)n1.Fc1cccc(F)n1
InChIInChI=1S/C16H16FN3O3.C11H14N2O3.C5H3F2N/c1-18-16(21)15(20-22-2)12-7-4-3-6-11(12)10-23-14-9-5-8-13(17)19-14;1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14;6-4-2-1-3-5(7)8-4/h3-9H,10H2,1-2H3,(H,18,21);3-6,14H,7H2,1-2H3,(H,12,15);1-3H/b20-15+;13-10+;
InChIKeyGYIHIEFZSRCSRX-JJQCNIIASA-N
MW654.65 g/mol
LogP3.53
Rot. Bonds10

About 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide

2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 172950599) has the molecular formula C32H33F3N6O6 and a molecular weight of 654.65 g/mol. Its IUPAC name is 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID172950599
Molecular FormulaC32H33F3N6O6
Molecular Weight654.65 g/mol
Exact Mass654.24
IUPAC Name2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)/C(=N/OC)c1ccccc1CO.CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(F)n1.Fc1cccc(F)n1
InChIInChI=1S/C16H16FN3O3.C11H14N2O3.C5H3F2N/c1-18-16(21)15(20-22-2)12-7-4-3-6-11(12)10-23-14-9-5-8-13(17)19-14;1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14;6-4-2-1-3-5(7)8-4/h3-9H,10H2,1-2H3,(H,18,21);3-6,14H,7H2,1-2H3,(H,12,15);1-3H/b20-15+;13-10+;
InChIKeyGYIHIEFZSRCSRX-JJQCNIIASA-N
XLogP3.53
TPSA156.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.65
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

CID 91390445
CID 91390445
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
2-[2-(1,3-benzoxazol-2-yloxymethyl)phenyl]-2-methoxyimino-N-methylacetamide
CID 54271565
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide (CID 172950599) is 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)/C(=N/OC)c1ccccc1CO.CNC(=O)/C(=N/OC)c1ccccc1COc1cccc(F)n1.Fc1cccc(F)n1.
What is the InChIKey of 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is GYIHIEFZSRCSRX-JJQCNIIASA-N. The full InChI is InChI=1S/C16H16FN3O3.C11H14N2O3.C5H3F2N/c1-18-16(21)15(20-22-2)12-7-4-3-6-11(12)10-23-14-9-5-8-13(17)19-14;1-12-11(15)10(13-16-2)9-6-4-3-5-8(9)7-14;6-4-2-1-3-5(7)8-4/h3-9H,10H2,1-2H3,(H,18,21);3-6,14H,7H2,1-2H3,(H,12,15);1-3H/b20-15+;13-10+;.
What are the key properties of 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide?
2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 654.65 g/mol, XLogP of 3.53, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoropyridine;(2E)-2-[2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;(2E)-2-[2-(hydroxymethyl)phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 172950599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).