5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid

C11H10BrN3O3 — CID 68646644

IUPAC5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncc(Br)cc1C(=O)O)n1ccnc1
InChIInChI=1S/C11H10BrN3O3/c1-7(15-3-2-13-6-15)18-10-9(11(16)17)4-8(12)5-14-10/h2-7H,1H3,(H,16,17)
InChIKeyAZPJSCPJWAOJSX-UHFFFAOYSA-N
MW312.12 g/mol
LogP2.34
Rot. Bonds4

About 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid

5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid (PubChem CID 68646644) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid
PubChem CID68646644
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid
SMILESCC(Oc1ncc(Br)cc1C(=O)O)n1ccnc1
InChIInChI=1S/C11H10BrN3O3/c1-7(15-3-2-13-6-15)18-10-9(11(16)17)4-8(12)5-14-10/h2-7H,1H3,(H,16,17)
InChIKeyAZPJSCPJWAOJSX-UHFFFAOYSA-N
XLogP2.34
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(3-methylbut-3-enoxy)pyridine-3-carboxylic acid
CID 114469984
5-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carboxylic acid
CID 104560416
carbonic acid;1-propan-2-ylimidazole
CID 175084414
5-bromo-2-(3-cyano-5-methoxyphenoxy)pyridine-3-carboxylic acid
CID 103566598
5-bromo-2-pent-4-enoxypyridine-3-carboxylic acid
CID 79114372
2-imidazol-1-ylpropanoic acid
CID 16788764
5-bromo-2-(2-imidazol-1-ylethoxy)benzoic acid
CID 28981316
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
(2,4,6-trichlorophenyl) 2-imidazol-1-ylpropanoate
CID 15284861
5-bromo-2-(14-methylpentadecyl)pyridine-3-carboxylic acid
CID 70373185
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
3-[(4-bromophenyl)methoxy]-4-(1-imidazol-1-ylbutyl)benzoic acid
CID 23365307

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid (CID 68646644) is 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid is CC(Oc1ncc(Br)cc1C(=O)O)n1ccnc1.
What is the InChIKey of 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid?
The InChIKey is AZPJSCPJWAOJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c1-7(15-3-2-13-6-15)18-10-9(11(16)17)4-8(12)5-14-10/h2-7H,1H3,(H,16,17).
What are the key properties of 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid?
5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid has a molecular weight of 312.12 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-imidazol-1-ylethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 68646644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).