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

C10H10BrF2NO2 — CID 134684404

IUPACmethyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(Br)c1C
InChIInChI=1S/C10H10BrF2NO2/c1-5-6(11)3-8(10(12)13)14-7(5)4-9(15)16-2/h3,10H,4H2,1-2H3
InChIKeyQZUGJNSDPJJSJG-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.81
Rot. Bonds3

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

methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate (PubChem CID 134684404) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
PubChem CID134684404
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Namemethyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C(F)F)cc(Br)c1C
InChIInChI=1S/C10H10BrF2NO2/c1-5-6(11)3-8(10(12)13)14-7(5)4-9(15)16-2/h3,10H,4H2,1-2H3
InChIKeyQZUGJNSDPJJSJG-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
methyl 2-[3-bromo-6-(difluoromethyl)-4-methoxy-2-pyridinyl]acetate
CID 134670856
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 133084326
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanamine
CID 118814262
methyl 2-[4-amino-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134660886
methyl 2-[6-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102109
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 133104847
methyl 2-[3-bromo-6-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134684471
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702
methyl 2-[3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 171029438
methyl 2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134667557

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate (CID 134684404) is methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate is COC(=O)Cc1nc(C(F)F)cc(Br)c1C.
What is the InChIKey of methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate?
The InChIKey is QZUGJNSDPJJSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-5-6(11)3-8(10(12)13)14-7(5)4-9(15)16-2/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate?
methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate has a molecular weight of 294.10 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 134684404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).