3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid

C15H11BrN2O3 — CID 61391322

IUPAC3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1cn2ccccc2n1
InChIInChI=1S/C15H11BrN2O3/c16-12-5-3-4-11(15(19)20)14(12)21-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9H2,(H,19,20)
InChIKeyNAJOJGBGMSBKDH-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.37
Rot. Bonds4

About 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid

3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid (PubChem CID 61391322) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
PubChem CID61391322
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1cccc(Br)c1OCc1cn2ccccc2n1
InChIInChI=1S/C15H11BrN2O3/c16-12-5-3-4-11(15(19)20)14(12)21-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9H2,(H,19,20)
InChIKeyNAJOJGBGMSBKDH-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)benzoic acid
CID 115331937
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-2-methylbenzoic acid
CID 82810212
[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
CID 107739058
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyridine-4-carboxylic acid
CID 81445806
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methylbenzoic acid
CID 60698887
N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18096051
2-[(1-bromonaphthalen-2-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 1184382
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 104831461
N-(4-bromo-3-methylphenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 18266560
[2-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(1,4,5-oxadiazepan-4-yl)methanone
CID 155952840

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The IUPAC name of 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid (CID 61391322) is 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The canonical SMILES for 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid is O=C(O)c1cccc(Br)c1OCc1cn2ccccc2n1.
What is the InChIKey of 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
The InChIKey is NAJOJGBGMSBKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c16-12-5-3-4-11(15(19)20)14(12)21-9-10-8-18-7-2-1-6-13(18)17-10/h1-8H,9H2,(H,19,20).
What are the key properties of 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid?
3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid has a molecular weight of 347.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 61391322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).