methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

C10H9BrClF2NO2 — CID 134674202

IUPACmethyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(CBr)c(Cl)n1
InChIInChI=1S/C10H9BrClF2NO2/c1-17-8(16)3-5-2-6(10(13)14)7(4-11)9(12)15-5/h2,10H,3-4H2,1H3
InChIKeyMJVVGMXHEZTHNN-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.28
Rot. Bonds4

About methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134674202) has the molecular formula C10H9BrClF2NO2 and a molecular weight of 328.54 g/mol. Its IUPAC name is methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134674202
Molecular FormulaC10H9BrClF2NO2
Molecular Weight328.54 g/mol
Exact Mass326.95
IUPAC Namemethyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(CBr)c(Cl)n1
InChIInChI=1S/C10H9BrClF2NO2/c1-17-8(16)3-5-2-6(10(13)14)7(4-11)9(12)15-5/h2,10H,3-4H2,1H3
InChIKeyMJVVGMXHEZTHNN-UHFFFAOYSA-N
XLogP3.28
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686341
methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 171029638
methyl 2-[6-bromo-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134675916
methyl 2-[6-bromo-4-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134685061
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
methyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674865
methyl 2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 133088360
methyl 2-[6-chloro-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134663513
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 134683250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134674202) is methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(CBr)c(Cl)n1.
What is the InChIKey of methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is MJVVGMXHEZTHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2/c1-17-8(16)3-5-2-6(10(13)14)7(4-11)9(12)15-5/h2,10H,3-4H2,1H3.
What are the key properties of methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate has a molecular weight of 328.54 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134674202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).