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

C10H10BrF2NO3 — CID 133102752

IUPACmethyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)ncc(O)c1CBr
InChIInChI=1S/C10H10BrF2NO3/c1-17-8(16)2-5-6(3-11)7(15)4-14-9(5)10(12)13/h4,10,15H,2-3H2,1H3
InChIKeyDEKVLWDJSMDFEQ-UHFFFAOYSA-N
MW310.09 g/mol
LogP2.34
Rot. Bonds4

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

methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (PubChem CID 133102752) has the molecular formula C10H10BrF2NO3 and a molecular weight of 310.09 g/mol. Its IUPAC name is methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
PubChem CID133102752
Molecular FormulaC10H10BrF2NO3
Molecular Weight310.09 g/mol
Exact Mass308.98
IUPAC Namemethyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(C(F)F)ncc(O)c1CBr
InChIInChI=1S/C10H10BrF2NO3/c1-17-8(16)2-5-6(3-11)7(15)4-14-9(5)10(12)13/h4,10,15H,2-3H2,1H3
InChIKeyDEKVLWDJSMDFEQ-UHFFFAOYSA-N
XLogP2.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133093498
methyl 2-[4-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674686
methyl 2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134685348
methyl 2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134684285
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-2-fluoro-4-pyridinyl]acetate
CID 133103983
methyl 2-[3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 133093227
ethyl 3-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylate
CID 133102339
5-bromo-4-(bromomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130110208
methyl 2-[3-bromo-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029542
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356
methyl 2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134673471
methyl 2-[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetate
CID 134672127

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate (CID 133102752) is methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is COC(=O)Cc1c(C(F)F)ncc(O)c1CBr.
What is the InChIKey of methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
The InChIKey is DEKVLWDJSMDFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO3/c1-17-8(16)2-5-6(3-11)7(15)4-14-9(5)10(12)13/h4,10,15H,2-3H2,1H3.
What are the key properties of methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate?
methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate has a molecular weight of 310.09 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(bromomethyl)-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate is sourced from PubChem (CID 133102752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).