2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol

C16H13BrF2N2O2 — CID 134535493

IUPAC2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol
SMILESCCc1nc2ccc(F)cn2c1C(O)c1cc(F)c(O)c(Br)c1
InChIInChI=1S/C16H13BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,15,22-23H,2H2,1H3
InChIKeyKQUFGYCDEYVFPN-UHFFFAOYSA-N
MW383.19 g/mol
LogP3.72
Rot. Bonds3

About 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol

2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol (PubChem CID 134535493) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol.

Molecular Properties

Compound Name2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol
PubChem CID134535493
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol
SMILESCCc1nc2ccc(F)cn2c1C(O)c1cc(F)c(O)c(Br)c1
InChIInChI=1S/C16H13BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,15,22-23H,2H2,1H3
InChIKeyKQUFGYCDEYVFPN-UHFFFAOYSA-N
XLogP3.72
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol?
The IUPAC name of 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol (CID 134535493) is 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol.
What is the SMILES notation for 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol?
The canonical SMILES for 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol is CCc1nc2ccc(F)cn2c1C(O)c1cc(F)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol?
The InChIKey is KQUFGYCDEYVFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-2-12-14(21-7-9(18)3-4-13(21)20-12)15(22)8-5-10(17)16(23)11(19)6-8/h3-7,15,22-23H,2H2,1H3.
What are the key properties of 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol?
2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol has a molecular weight of 383.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)-hydroxymethyl]-6-fluorophenol is sourced from PubChem (CID 134535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).