[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol

C9H5BrClF3N2O2 — CID 162587588

IUPAC[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol
SMILESOC(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl
InChIInChI=1S/C9H5BrClF3N2O2/c10-3-1-4(9(12,13)14)7-15-5(8(17)18)6(11)16(7)2-3/h1-2,8,17-18H
InChIKeyBWAUXZSHBADCKE-UHFFFAOYSA-N
MW345.50 g/mol
LogP2.75
Rot. Bonds1

About [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol

[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol (PubChem CID 162587588) has the molecular formula C9H5BrClF3N2O2 and a molecular weight of 345.50 g/mol. Its IUPAC name is [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol.

Molecular Properties

Compound Name[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol
PubChem CID162587588
Molecular FormulaC9H5BrClF3N2O2
Molecular Weight345.50 g/mol
Exact Mass343.92
IUPAC Name[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol
SMILESOC(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl
InChIInChI=1S/C9H5BrClF3N2O2/c10-3-1-4(9(12,13)14)7-15-5(8(17)18)6(11)16(7)2-3/h1-2,8,17-18H
InChIKeyBWAUXZSHBADCKE-UHFFFAOYSA-N
XLogP2.75
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol?
The IUPAC name of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol (CID 162587588) is [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol.
What is the SMILES notation for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol?
The canonical SMILES for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol is OC(O)c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl.
What is the InChIKey of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol?
The InChIKey is BWAUXZSHBADCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClF3N2O2/c10-3-1-4(9(12,13)14)7-15-5(8(17)18)6(11)16(7)2-3/h1-2,8,17-18H.
What are the key properties of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol?
[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol has a molecular weight of 345.50 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanediol is sourced from PubChem (CID 162587588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).