methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate

C10H10BrF2NO2 — CID 134673899

IUPACmethyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C)cnc(Br)c1C(F)F
InChIInChI=1S/C10H10BrF2NO2/c1-5-4-14-9(11)8(10(12)13)6(5)3-7(15)16-2/h4,10H,3H2,1-2H3
InChIKeyCNWYMXRAKMUGBO-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.81
Rot. Bonds3

About methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate

methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate (PubChem CID 134673899) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
PubChem CID134673899
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Namemethyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C)cnc(Br)c1C(F)F
InChIInChI=1S/C10H10BrF2NO2/c1-5-4-14-9(11)8(10(12)13)6(5)3-7(15)16-2/h4,10H,3H2,1-2H3
InChIKeyCNWYMXRAKMUGBO-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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
methyl 2-[4-(difluoromethyl)-2-iodo-5-methyl-3-pyridinyl]acetate
CID 133101934
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[2-bromo-5-(difluoromethyl)-4-iodo-3-pyridinyl]acetate
CID 134685063
methyl 2-[5-bromo-2-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134684094
methyl 2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029600
methyl 2-[3-bromo-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 134674264
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
methyl 2-[3-cyano-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 133107695

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate (CID 134673899) is methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate is COC(=O)Cc1c(C)cnc(Br)c1C(F)F.
What is the InChIKey of methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate?
The InChIKey is CNWYMXRAKMUGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-5-4-14-9(11)8(10(12)13)6(5)3-7(15)16-2/h4,10H,3H2,1-2H3.
What are the key properties of methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate?
methyl 2-[2-bromo-3-(difluoromethyl)-5-methyl-4-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-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 134673899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).