methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

C10H9BrClF2NO2 — CID 134686341

IUPACmethyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)cc(C(F)F)c1CBr
InChIInChI=1S/C10H9BrClF2NO2/c1-17-9(16)3-7-6(4-11)5(10(13)14)2-8(12)15-7/h2,10H,3-4H2,1H3
InChIKeyGNEGPNIVRMMJCY-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.28
Rot. Bonds4

About methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate

methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (PubChem CID 134686341) has the molecular formula C10H9BrClF2NO2 and a molecular weight of 328.54 g/mol. Its IUPAC name is methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
PubChem CID134686341
Molecular FormulaC10H9BrClF2NO2
Molecular Weight328.54 g/mol
Exact Mass326.95
IUPAC Namemethyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(Cl)cc(C(F)F)c1CBr
InChIInChI=1S/C10H9BrClF2NO2/c1-17-9(16)3-7-6(4-11)5(10(13)14)2-8(12)15-7/h2,10H,3-4H2,1H3
InChIKeyGNEGPNIVRMMJCY-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-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134674202
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 133099017
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
ethyl 2-[3-(bromomethyl)-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133104435
methyl 2-[6-chloro-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134676745
methyl 2-[3-chloro-4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 134685443
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 133103785
methyl 2-[6-amino-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134661772
methyl 2-[2-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 171029638

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate (CID 134686341) is methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(Cl)cc(C(F)F)c1CBr.
What is the InChIKey of methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
The InChIKey is GNEGPNIVRMMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2NO2/c1-17-9(16)3-7-6(4-11)5(10(13)14)2-8(12)15-7/h2,10H,3-4H2,1H3.
What are the key properties of methyl 2-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate?
methyl 2-[3-(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-[3-(bromomethyl)-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134686341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).