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

C13H11FN4 — CID 81136710

IUPAC4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc2[nH]c(-c3cc(N)ccc3F)nc2n1
InChIInChI=1S/C13H11FN4/c1-7-2-5-11-13(16-7)18-12(17-11)9-6-8(15)3-4-10(9)14/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyCELMJRXJNJBSSK-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.65
Rot. Bonds1

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

4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 81136710) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID81136710
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc2[nH]c(-c3cc(N)ccc3F)nc2n1
InChIInChI=1S/C13H11FN4/c1-7-2-5-11-13(16-7)18-12(17-11)9-6-8(15)3-4-10(9)14/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyCELMJRXJNJBSSK-UHFFFAOYSA-N
XLogP2.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 81136710) is 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is Cc1ccc2[nH]c(-c3cc(N)ccc3F)nc2n1.
What is the InChIKey of 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is CELMJRXJNJBSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-7-2-5-11-13(16-7)18-12(17-11)9-6-8(15)3-4-10(9)14/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 242.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 81136710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).