6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid

C13H9Br2NO3 — CID 106903241

IUPAC6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2c(Br)cccc2Br)n1
InChIInChI=1S/C13H9Br2NO3/c14-9-4-2-5-10(15)12(9)19-7-8-3-1-6-11(16-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyMOXXHOBXWLRRKP-UHFFFAOYSA-N
MW387.03 g/mol
LogP3.88
Rot. Bonds4

About 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid

6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid (PubChem CID 106903241) has the molecular formula C13H9Br2NO3 and a molecular weight of 387.03 g/mol. Its IUPAC name is 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
PubChem CID106903241
Molecular FormulaC13H9Br2NO3
Molecular Weight387.03 g/mol
Exact Mass384.89
IUPAC Name6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2c(Br)cccc2Br)n1
InChIInChI=1S/C13H9Br2NO3/c14-9-4-2-5-10(15)12(9)19-7-8-3-1-6-11(16-8)13(17)18/h1-6H,7H2,(H,17,18)
InChIKeyMOXXHOBXWLRRKP-UHFFFAOYSA-N
XLogP3.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.03
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
6-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903359
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
CID 106903275
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
6-[(2-propoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903239
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
6-[(4-chlorophenyl)methoxymethyl]pyridine-2-carboxylic acid
CID 106903375
6-[(4-propylphenoxy)methyl]pyridine-2-carboxylic acid
CID 106903358
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-[(4-methyl-3-pyridinyl)oxymethyl]pyridine-2-carboxylic acid
CID 150138624

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid (CID 106903241) is 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2c(Br)cccc2Br)n1.
What is the InChIKey of 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is MOXXHOBXWLRRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2NO3/c14-9-4-2-5-10(15)12(9)19-7-8-3-1-6-11(16-8)13(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid?
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 387.03 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).