1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate

C9H11BrN2O — CID 143270159

IUPAC1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
SMILESC/N=C/OC(C)c1ccncc1Br
InChIInChI=1S/C9H11BrN2O/c1-7(13-6-11-2)8-3-4-12-5-9(8)10/h3-7H,1-2H3/b11-6+
InChIKeyRROYHSJHRLYOLT-IZZDOVSWSA-N
MW243.10 g/mol
LogP2.58
Rot. Bonds3

About 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate

1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate (PubChem CID 143270159) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate.

Molecular Properties

Compound Name1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
PubChem CID143270159
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate
SMILESC/N=C/OC(C)c1ccncc1Br
InChIInChI=1S/C9H11BrN2O/c1-7(13-6-11-2)8-3-4-12-5-9(8)10/h3-7H,1-2H3/b11-6+
InChIKeyRROYHSJHRLYOLT-IZZDOVSWSA-N
XLogP2.58
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-4-ylethyl N-methylmethanimidate
CID 143270127
3-bromo-4-(1-ethoxyethyl)pyridine
CID 71104941
4-bromo-3-(1-bromoethyl)pyridine
CID 119087167
ethyl 2-amino-2-(3-bromo-4-pyridinyl)acetate
CID 121230185
3-(3-bromo-4-pyridinyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 11010545
1-(3-bromo-4-pyridinyl)decan-1-ol
CID 151141391
3-bromo-4-methylpyridine;ethane
CID 143472846
3-bromo-4-fluoropyridine;ethane
CID 144770242
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
CID 170827435
3-[(3-bromo-4-pyridinyl)sulfanyl]butan-2-ol
CID 107771144
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate?
The IUPAC name of 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate (CID 143270159) is 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate.
What is the SMILES notation for 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate?
The canonical SMILES for 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate is C/N=C/OC(C)c1ccncc1Br.
What is the InChIKey of 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate?
The InChIKey is RROYHSJHRLYOLT-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-7(13-6-11-2)8-3-4-12-5-9(8)10/h3-7H,1-2H3/b11-6+.
What are the key properties of 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate?
1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate has a molecular weight of 243.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pyridinyl)ethyl N-methylmethanimidate is sourced from PubChem (CID 143270159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).