3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline

C13H11FN4O — CID 65484816

IUPAC3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3c(N)cccc3F)nc2n1
InChIInChI=1S/C13H11FN4O/c1-19-10-6-5-9-12(17-10)18-13(16-9)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyIDZDPXXQJHNBAM-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.35
Rot. Bonds2

About 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline

3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 65484816) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID65484816
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3c(N)cccc3F)nc2n1
InChIInChI=1S/C13H11FN4O/c1-19-10-6-5-9-12(17-10)18-13(16-9)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyIDZDPXXQJHNBAM-UHFFFAOYSA-N
XLogP2.35
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 65484816) is 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is COc1ccc2[nH]c(-c3c(N)cccc3F)nc2n1.
What is the InChIKey of 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is IDZDPXXQJHNBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-19-10-6-5-9-12(17-10)18-13(16-9)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 258.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 65484816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).