2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid

C8H7Br2NO3 — CID 175524021

IUPAC2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccnc(C(Br)Br)c1
InChIInChI=1S/C8H7Br2NO3/c9-8(10)6-3-5(1-2-11-6)14-4-7(12)13/h1-3,8H,4H2,(H,12,13)
InChIKeyJQXVFZRYHYSALR-UHFFFAOYSA-N
MW324.96 g/mol
LogP2.33
Rot. Bonds4

About 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid

2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid (PubChem CID 175524021) has the molecular formula C8H7Br2NO3 and a molecular weight of 324.96 g/mol. Its IUPAC name is 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
PubChem CID175524021
Molecular FormulaC8H7Br2NO3
Molecular Weight324.96 g/mol
Exact Mass322.88
IUPAC Name2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
SMILESO=C(O)COc1ccnc(C(Br)Br)c1
InChIInChI=1S/C8H7Br2NO3/c9-8(10)6-3-5(1-2-11-6)14-4-7(12)13/h1-3,8H,4H2,(H,12,13)
InChIKeyJQXVFZRYHYSALR-UHFFFAOYSA-N
XLogP2.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.96
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid
CID 96858377
2-(4-ethoxy-2-pyridinyl)propanoic acid
CID 83879247
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
2-(4-bromo-3-chlorophenoxy)acetic acid
CID 22633682
2-phenoxyacetic acid;titanium
CID 174896747
2-(3-stibonophenoxy)acetic acid
CID 70690511
2-[6-(bromomethyl)naphthalen-2-yl]oxyacetic acid
CID 69228265
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
2-phenazin-2-yloxyacetic acid
CID 97034009
2-(3-methylbenzimidazol-5-yl)oxyacetic acid
CID 84673953

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid?
The IUPAC name of 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid (CID 175524021) is 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid?
The canonical SMILES for 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid is O=C(O)COc1ccnc(C(Br)Br)c1.
What is the InChIKey of 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid?
The InChIKey is JQXVFZRYHYSALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO3/c9-8(10)6-3-5(1-2-11-6)14-4-7(12)13/h1-3,8H,4H2,(H,12,13).
What are the key properties of 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid?
2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid has a molecular weight of 324.96 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid is sourced from PubChem (CID 175524021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).