methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate

C8H7BrFNO2 — CID 130776518

IUPACmethyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cnc(Br)cc1F
InChIInChI=1S/C8H7BrFNO2/c1-13-8(12)2-5-4-11-7(9)3-6(5)10/h3-4H,2H2,1H3
InChIKeyFDBRTUADFPBUSG-UHFFFAOYSA-N
MW248.05 g/mol
LogP1.70
Rot. Bonds2

About methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate

methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate (PubChem CID 130776518) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
PubChem CID130776518
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Namemethyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cnc(Br)cc1F
InChIInChI=1S/C8H7BrFNO2/c1-13-8(12)2-5-4-11-7(9)3-6(5)10/h3-4H,2H2,1H3
InChIKeyFDBRTUADFPBUSG-UHFFFAOYSA-N
XLogP1.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 51.70
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

methyl 2-[2-bromo-5-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097925
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097930
methyl 2-(5-bromofuro[2,3-c]pyridin-3-yl)acetate
CID 177101640
methyl 2-(6-amino-4-bromo-3-pyridinyl)acetate
CID 130631453
methyl 2-(2-chloro-5-fluoro-4-pyridinyl)acetate
CID 131118984
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate (CID 130776518) is methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate is COC(=O)Cc1cnc(Br)cc1F.
What is the InChIKey of methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate?
The InChIKey is FDBRTUADFPBUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c1-13-8(12)2-5-4-11-7(9)3-6(5)10/h3-4H,2H2,1H3.
What are the key properties of methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate?
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate has a molecular weight of 248.05 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate is sourced from PubChem (CID 130776518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).