4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C13H11F3N6 — CID 135335893

IUPAC4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCn1c(C(F)(F)F)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C13H11F3N6/c1-22-11-8(20-12(22)13(14,15)16)3-2-7(19-11)6-4-9(17)21-10(18)5-6/h2-5H,1H3,(H4,17,18,21)
InChIKeyQSCOBBLSIQRSCX-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.21
Rot. Bonds1

About 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335893) has the molecular formula C13H11F3N6 and a molecular weight of 308.27 g/mol. Its IUPAC name is 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335893
Molecular FormulaC13H11F3N6
Molecular Weight308.27 g/mol
Exact Mass308.10
IUPAC Name4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCn1c(C(F)(F)F)nc2ccc(-c3cc(N)nc(N)c3)nc21
InChIInChI=1S/C13H11F3N6/c1-22-11-8(20-12(22)13(14,15)16)3-2-7(19-11)6-4-9(17)21-10(18)5-6/h2-5H,1H3,(H4,17,18,21)
InChIKeyQSCOBBLSIQRSCX-UHFFFAOYSA-N
XLogP2.21
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335893) is 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cn1c(C(F)(F)F)nc2ccc(-c3cc(N)nc(N)c3)nc21.
What is the InChIKey of 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is QSCOBBLSIQRSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6/c1-22-11-8(20-12(22)13(14,15)16)3-2-7(19-11)6-4-9(17)21-10(18)5-6/h2-5H,1H3,(H4,17,18,21).
What are the key properties of 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 308.27 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).