(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol

C15H10BrF3N2O — CID 167169475

IUPAC(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1nc2c(Br)cccn2c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H10BrF3N2O/c1-7-13(21-4-2-3-9(16)15(21)20-7)14(22)8-5-10(17)12(19)11(18)6-8/h2-6,14,22H,1H3
InChIKeyRRPKKXHORILFKU-UHFFFAOYSA-N
MW371.16 g/mol
LogP3.90
Rot. Bonds2

About (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol

(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 167169475) has the molecular formula C15H10BrF3N2O and a molecular weight of 371.16 g/mol. Its IUPAC name is (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol
PubChem CID167169475
Molecular FormulaC15H10BrF3N2O
Molecular Weight371.16 g/mol
Exact Mass369.99
IUPAC Name(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1nc2c(Br)cccn2c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H10BrF3N2O/c1-7-13(21-4-2-3-9(16)15(21)20-7)14(22)8-5-10(17)12(19)11(18)6-8/h2-6,14,22H,1H3
InChIKeyRRPKKXHORILFKU-UHFFFAOYSA-N
XLogP3.90
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol (CID 167169475) is (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol is Cc1nc2c(Br)cccn2c1C(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is RRPKKXHORILFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O/c1-7-13(21-4-2-3-9(16)15(21)20-7)14(22)8-5-10(17)12(19)11(18)6-8/h2-6,14,22H,1H3.
What are the key properties of (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol?
(8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 371.16 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 167169475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).