2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol

C11H9F6N3O — CID 91926273

IUPAC2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1nc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1CCO
InChIInChI=1S/C11H9F6N3O/c1-5-18-8-6(10(12,13)14)4-7(11(15,16)17)19-9(8)20(5)2-3-21/h4,21H,2-3H2,1H3
InChIKeyQEXHDBCAGDPKPC-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.77
Rot. Bonds2

About 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol

2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol (PubChem CID 91926273) has the molecular formula C11H9F6N3O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
PubChem CID91926273
Molecular FormulaC11H9F6N3O
Molecular Weight313.20 g/mol
Exact Mass313.06
IUPAC Name2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
SMILESCc1nc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1CCO
InChIInChI=1S/C11H9F6N3O/c1-5-18-8-6(10(12,13)14)4-7(11(15,16)17)19-9(8)20(5)2-3-21/h4,21H,2-3H2,1H3
InChIKeyQEXHDBCAGDPKPC-UHFFFAOYSA-N
XLogP2.77
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol (CID 91926273) is 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol is Cc1nc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1CCO.
What is the InChIKey of 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
The InChIKey is QEXHDBCAGDPKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N3O/c1-5-18-8-6(10(12,13)14)4-7(11(15,16)17)19-9(8)20(5)2-3-21/h4,21H,2-3H2,1H3.
What are the key properties of 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol?
2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol has a molecular weight of 313.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5,7-bis(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 91926273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).