methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate

C10H11BrN2O3 — CID 10979045

IUPACmethyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1cccnc1CBr
InChIInChI=1S/C10H11BrN2O3/c1-15-10(14)9(13-16-2)7-4-3-5-12-8(7)6-11/h3-5H,6H2,1-2H3/b13-9+
InChIKeyMQBMQKFBIUKKMS-UKTHLTGXSA-N
MW287.11 g/mol
LogP1.50
Rot. Bonds4

About methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate

methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate (PubChem CID 10979045) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate.

Molecular Properties

Compound Namemethyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate
PubChem CID10979045
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Namemethyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate
SMILESCO/N=C(/C(=O)OC)c1cccnc1CBr
InChIInChI=1S/C10H11BrN2O3/c1-15-10(14)9(13-16-2)7-4-3-5-12-8(7)6-11/h3-5H,6H2,1-2H3/b13-9+
InChIKeyMQBMQKFBIUKKMS-UKTHLTGXSA-N
XLogP1.50
TPSA60.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

methyl (2Z)-2-methoxyimino-2-[2-(propan-2-ylideneamino)oxy-3-pyridinyl]acetate
CID 20653020
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl 2-[2-(2-bromoethyl)-3-chlorophenyl]-2-methoxyiminoacetate
CID 174340395
methyl 2-[2-[3-(bromomethyl)phenoxy]phenyl]-2-methoxyiminoacetate
CID 54084630
methyl 2-[2-(bromomethyl)phenyl]-2-ethoxyiminoacetate
CID 142629069
methyl (2E)-2-methoxyimino-2-(2-phenoxyphenyl)acetate
CID 10803045
ethane;methyl (2E)-2-methoxyimino-2-[2-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]phenyl]acetate
CID 172952412
methyl (2E)-2-[3-[(E)-3-ethyliminobutan-2-ylideneamino]oxy-2-pyridinyl]-2-methoxyiminoacetate
CID 59954799
methyl 2-[2-[(benzylideneamino)oxymethyl]phenyl]-2-methoxyiminoacetate
CID 72606228
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2E)-2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 90800488

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate?
The IUPAC name of methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate (CID 10979045) is methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate.
What is the SMILES notation for methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate?
The canonical SMILES for methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate is CO/N=C(/C(=O)OC)c1cccnc1CBr.
What is the InChIKey of methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate?
The InChIKey is MQBMQKFBIUKKMS-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-15-10(14)9(13-16-2)7-4-3-5-12-8(7)6-11/h3-5H,6H2,1-2H3/b13-9+.
What are the key properties of methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate?
methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate has a molecular weight of 287.11 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-[2-(bromomethyl)-3-pyridinyl]-2-methoxyiminoacetate is sourced from PubChem (CID 10979045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).