6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine

C13H8F4N4 — CID 107645385

IUPAC6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H8F4N4/c1-5-2-8-12(19-4-5)21(13(18)20-8)11-9(16)6(14)3-7(15)10(11)17/h2-4H,1H3,(H2,18,20)
InChIKeyHHWWDYJGWCMNHU-UHFFFAOYSA-N
MW296.23 g/mol
LogP2.87
Rot. Bonds1

About 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine

6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 107645385) has the molecular formula C13H8F4N4 and a molecular weight of 296.23 g/mol. Its IUPAC name is 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID107645385
Molecular FormulaC13H8F4N4
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC Name6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H8F4N4/c1-5-2-8-12(19-4-5)21(13(18)20-8)11-9(16)6(14)3-7(15)10(11)17/h2-4H,1H3,(H2,18,20)
InChIKeyHHWWDYJGWCMNHU-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine (CID 107645385) is 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2-c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is HHWWDYJGWCMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4/c1-5-2-8-12(19-4-5)21(13(18)20-8)11-9(16)6(14)3-7(15)10(11)17/h2-4H,1H3,(H2,18,20).
What are the key properties of 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine?
6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 296.23 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2,3,5,6-tetrafluorophenyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 107645385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).