5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

C12H9BrN2O3 — CID 104795977

IUPAC5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C12H9BrN2O3/c13-10-1-8(3-14-5-10)7-18-11-2-9(12(16)17)4-15-6-11/h1-6H,7H2,(H,16,17)
InChIKeyPIKMTAUWHBPMRD-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.52
Rot. Bonds4

About 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid

5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (PubChem CID 104795977) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
PubChem CID104795977
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cncc(Br)c2)c1
InChIInChI=1S/C12H9BrN2O3/c13-10-1-8(3-14-5-10)7-18-11-2-9(12(16)17)4-15-6-11/h1-6H,7H2,(H,16,17)
InChIKeyPIKMTAUWHBPMRD-UHFFFAOYSA-N
XLogP2.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713
3-bromo-4-[(5-bromo-3-pyridinyl)oxymethyl]benzoic acid
CID 102765543
3-bromo-5-[(4-bromophenoxy)methyl]pyridine
CID 115580483
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-bromo-5-phenylmethoxypyridine
CID 15389198
5-[(2-bromo-4-fluorophenyl)methoxy]pyridine-3-carboxylic acid
CID 63850652
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
5-[(1-ethylpyrazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63852192
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
3-bromo-5-[(4-iodophenoxy)methyl]pyridine
CID 115582275
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid (CID 104795977) is 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2cncc(Br)c2)c1.
What is the InChIKey of 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is PIKMTAUWHBPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c13-10-1-8(3-14-5-10)7-18-11-2-9(12(16)17)4-15-6-11/h1-6H,7H2,(H,16,17).
What are the key properties of 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid?
5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 309.12 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-pyridinyl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 104795977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).