2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid

C9H8BrF2NO2 — CID 118855110

IUPAC2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(CBr)nc(C(F)F)c1
InChIInChI=1S/C9H8BrF2NO2/c10-4-6-1-5(3-8(14)15)2-7(13-6)9(11)12/h1-2,9H,3-4H2,(H,14,15)
InChIKeyIWCQCOZOIVNPOX-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid

2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 118855110) has the molecular formula C9H8BrF2NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID118855110
Molecular FormulaC9H8BrF2NO2
Molecular Weight280.07 g/mol
Exact Mass278.97
IUPAC Name2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1cc(CBr)nc(C(F)F)c1
InChIInChI=1S/C9H8BrF2NO2/c10-4-6-1-5(3-8(14)15)2-7(13-6)9(11)12/h1-2,9H,3-4H2,(H,14,15)
InChIKeyIWCQCOZOIVNPOX-UHFFFAOYSA-N
XLogP2.54
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134673251
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
4-(bromomethyl)-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098211
2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
2-[4-(bromomethyl)-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075453
methyl 2-(bromomethyl)-6-(difluoromethyl)pyridine-4-carboxylate
CID 134670391
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070474
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
2-[5-bromo-4-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130070460
6-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130098199
2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134673140

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid (CID 118855110) is 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid is O=C(O)Cc1cc(CBr)nc(C(F)F)c1.
What is the InChIKey of 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is IWCQCOZOIVNPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2NO2/c10-4-6-1-5(3-8(14)15)2-7(13-6)9(11)12/h1-2,9H,3-4H2,(H,14,15).
What are the key properties of 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 280.07 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118855110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).