[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol

C15H12Br2N2O2 — CID 107739058

IUPAC[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCc2cn3ccccc3n2)c(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-5-10(8-20)6-13(17)15(12)21-9-11-7-19-4-2-1-3-14(19)18-11/h1-7,20H,8-9H2
InChIKeyAGMYCNQRQPHKTP-UHFFFAOYSA-N
MW412.08 g/mol
LogP3.93
Rot. Bonds4

About [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol

[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol (PubChem CID 107739058) has the molecular formula C15H12Br2N2O2 and a molecular weight of 412.08 g/mol. Its IUPAC name is [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
PubChem CID107739058
Molecular FormulaC15H12Br2N2O2
Molecular Weight412.08 g/mol
Exact Mass409.93
IUPAC Name[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol
SMILESOCc1cc(Br)c(OCc2cn3ccccc3n2)c(Br)c1
InChIInChI=1S/C15H12Br2N2O2/c16-12-5-10(8-20)6-13(17)15(12)21-9-11-7-19-4-2-1-3-14(19)18-11/h1-7,20H,8-9H2
InChIKeyAGMYCNQRQPHKTP-UHFFFAOYSA-N
XLogP3.93
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.08
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 28602482
3-bromo-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoic acid
CID 61391322
2-[(4-bromo-2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 112779233
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-[(1-bromonaphthalen-2-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 1184382
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
3-fluoro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 104831461
4,5-dichloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)aniline
CID 107497897
[3-bromo-4,5-bis(phenylmethoxy)phenyl]methanol
CID 10431016
[3,5-dibromo-4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methanol
CID 107739141
2-[(2-chloro-4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 170746842
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863

Frequently Asked Questions

What is the IUPAC name of [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol?
The IUPAC name of [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol (CID 107739058) is [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol is OCc1cc(Br)c(OCc2cn3ccccc3n2)c(Br)c1.
What is the InChIKey of [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol?
The InChIKey is AGMYCNQRQPHKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2O2/c16-12-5-10(8-20)6-13(17)15(12)21-9-11-7-19-4-2-1-3-14(19)18-11/h1-7,20H,8-9H2.
What are the key properties of [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol?
[3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol has a molecular weight of 412.08 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dibromo-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 107739058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).