methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate

C10H11BrF2N2O2 — CID 134683410

IUPACmethyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CBr)c(C(F)F)nc1N
InChIInChI=1S/C10H11BrF2N2O2/c1-17-7(16)3-5-2-6(4-11)8(9(12)13)15-10(5)14/h2,9H,3-4H2,1H3,(H2,14,15)
InChIKeyIZXSDWZFJOGLEM-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134683410) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134683410
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Namemethyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CBr)c(C(F)F)nc1N
InChIInChI=1S/C10H11BrF2N2O2/c1-17-7(16)3-5-2-6(4-11)8(9(12)13)15-10(5)14/h2,9H,3-4H2,1H3,(H2,14,15)
InChIKeyIZXSDWZFJOGLEM-UHFFFAOYSA-N
XLogP2.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[6-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674485
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104140
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[6-amino-4-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134673522
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
methyl 2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133101263
methyl 2-[3-(bromomethyl)-2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 133100621

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134683410) is methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(CBr)c(C(F)F)nc1N.
What is the InChIKey of methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is IZXSDWZFJOGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-17-7(16)3-5-2-6(4-11)8(9(12)13)15-10(5)14/h2,9H,3-4H2,1H3,(H2,14,15).
What are the key properties of methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 309.11 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134683410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).