3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine

C14H12F2N4 — CID 82820195

IUPAC3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3c(C)ccnc32)c1F
InChIInChI=1S/C14H12F2N4/c1-7-3-4-9(15)12(10(7)16)20-13-11(19-14(20)17)8(2)5-6-18-13/h3-6H,1-2H3,(H2,17,19)
InChIKeyPXNCPVKJCMLGDJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.90
Rot. Bonds1

About 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine

3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 82820195) has the molecular formula C14H12F2N4 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID82820195
Molecular FormulaC14H12F2N4
Molecular Weight274.27 g/mol
Exact Mass274.10
IUPAC Name3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccc(F)c(-n2c(N)nc3c(C)ccnc32)c1F
InChIInChI=1S/C14H12F2N4/c1-7-3-4-9(15)12(10(7)16)20-13-11(19-14(20)17)8(2)5-6-18-13/h3-6H,1-2H3,(H2,17,19)
InChIKeyPXNCPVKJCMLGDJ-UHFFFAOYSA-N
XLogP2.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine (CID 82820195) is 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccc(F)c(-n2c(N)nc3c(C)ccnc32)c1F.
What is the InChIKey of 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is PXNCPVKJCMLGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4/c1-7-3-4-9(15)12(10(7)16)20-13-11(19-14(20)17)8(2)5-6-18-13/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine?
3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 274.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3-methylphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 82820195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).