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

C13H11FN4O — CID 65485203

IUPAC2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3ccc(F)c(N)c3)nc2n1
InChIInChI=1S/C13H11FN4O/c1-19-11-5-4-10-13(17-11)18-12(16-10)7-2-3-8(14)9(15)6-7/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyRELYFXJANFAZFE-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.35
Rot. Bonds2

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

2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 65485203) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID65485203
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3ccc(F)c(N)c3)nc2n1
InChIInChI=1S/C13H11FN4O/c1-19-11-5-4-10-13(17-11)18-12(16-10)7-2-3-8(14)9(15)6-7/h2-6H,15H2,1H3,(H,16,17,18)
InChIKeyRELYFXJANFAZFE-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 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 65485203) is 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is COc1ccc2[nH]c(-c3ccc(F)c(N)c3)nc2n1.
What is the InChIKey of 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is RELYFXJANFAZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-19-11-5-4-10-13(17-11)18-12(16-10)7-2-3-8(14)9(15)6-7/h2-6H,15H2,1H3,(H,16,17,18).
What are the key properties of 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
2-fluoro-5-(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 2-fluoro-5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 65485203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).