(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol

C11H11ClF3N3O — CID 90178294

IUPAC(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc(Cl)cc2n1[C@H](C)C(F)(F)F
InChIInChI=1S/C11H11ClF3N3O/c1-5(19)10-17-7-4-16-9(12)3-8(7)18(10)6(2)11(13,14)15/h3-6,19H,1-2H3/t5-,6-/m1/s1
InChIKeyJVDQBZKBVBIRIO-PHDIDXHHSA-N
MW293.68 g/mol
LogP3.26
Rot. Bonds2

About (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol

(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol (PubChem CID 90178294) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
PubChem CID90178294
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC Name(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol
SMILESC[C@@H](O)c1nc2cnc(Cl)cc2n1[C@H](C)C(F)(F)F
InChIInChI=1S/C11H11ClF3N3O/c1-5(19)10-17-7-4-16-9(12)3-8(7)18(10)6(2)11(13,14)15/h3-6,19H,1-2H3/t5-,6-/m1/s1
InChIKeyJVDQBZKBVBIRIO-PHDIDXHHSA-N
XLogP3.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol?
The IUPAC name of (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol (CID 90178294) is (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol is C[C@@H](O)c1nc2cnc(Cl)cc2n1[C@H](C)C(F)(F)F.
What is the InChIKey of (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol?
The InChIKey is JVDQBZKBVBIRIO-PHDIDXHHSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c1-5(19)10-17-7-4-16-9(12)3-8(7)18(10)6(2)11(13,14)15/h3-6,19H,1-2H3/t5-,6-/m1/s1.
What are the key properties of (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol?
(1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol has a molecular weight of 293.68 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-chloro-1-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[4,5-c]pyridin-2-yl]ethanol is sourced from PubChem (CID 90178294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).