6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid

C12H9BrN2O3 — CID 106903799

IUPAC6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C12H9BrN2O3/c13-9-4-2-6-15(11(9)16)7-8-3-1-5-10(14-8)12(17)18/h1-6H,7H2,(H,17,18)
InChIKeyWHOUYAGFJXSZGA-UHFFFAOYSA-N
MW309.12 g/mol
LogP1.75
Rot. Bonds3

About 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid

6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid (PubChem CID 106903799) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid
PubChem CID106903799
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cn2cccc(Br)c2=O)n1
InChIInChI=1S/C12H9BrN2O3/c13-9-4-2-6-15(11(9)16)7-8-3-1-5-10(14-8)12(17)18/h1-6H,7H2,(H,17,18)
InChIKeyWHOUYAGFJXSZGA-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-1-[(6-chloro-2-pyridinyl)methyl]pyridin-2-one
CID 114760492
6-[(2,6-dibromophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903241
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-[(5-fluoroindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903722
3-(3-bromo-2-oxo-1-pyridinyl)propanoic acid
CID 82146616
3-bromo-1-(iodomethyl)pyridin-2-one
CID 172778363
6-[(2-bromoanilino)methyl]pyridine-2-carboxylic acid
CID 106904396
3-bromo-1-(pyridin-4-ylmethyl)pyridin-2-one
CID 114761354
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
6-(hydroxymethyl)pyridine-2-carboxylic acid;hydrochloride
CID 146675255

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid (CID 106903799) is 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cn2cccc(Br)c2=O)n1.
What is the InChIKey of 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid?
The InChIKey is WHOUYAGFJXSZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-9-4-2-6-15(11(9)16)7-8-3-1-5-10(14-8)12(17)18/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid?
6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid has a molecular weight of 309.12 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106903799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).