2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline

C12H9FN4 — CID 82512905

IUPAC2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
SMILESNc1cc(-n2cnc3cccnc32)ccc1F
InChIInChI=1S/C12H9FN4/c13-9-4-3-8(6-10(9)14)17-7-16-11-2-1-5-15-12(11)17/h1-7H,14H2
InChIKeyCTVNIEFMEVDRHP-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.14
Rot. Bonds1

About 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline

2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline (PubChem CID 82512905) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline.

Molecular Properties

Compound Name2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
PubChem CID82512905
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline
SMILESNc1cc(-n2cnc3cccnc32)ccc1F
InChIInChI=1S/C12H9FN4/c13-9-4-3-8(6-10(9)14)17-7-16-11-2-1-5-15-12(11)17/h1-7H,14H2
InChIKeyCTVNIEFMEVDRHP-UHFFFAOYSA-N
XLogP2.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 141330064
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
2-(3-imidazo[4,5-b]pyridin-3-ylphenoxy)ethanamine
CID 82513955
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
CID 162335938
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903
imidazo[4,5-b]pyridin-3-amine
CID 69402235
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
N-cyclopropyl-3-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277251
3-iodoimidazo[4,5-b]pyridine
CID 129018665
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline?
The IUPAC name of 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline (CID 82512905) is 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline.
What is the SMILES notation for 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline?
The canonical SMILES for 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline is Nc1cc(-n2cnc3cccnc32)ccc1F.
What is the InChIKey of 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline?
The InChIKey is CTVNIEFMEVDRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-9-4-3-8(6-10(9)14)17-7-16-11-2-1-5-15-12(11)17/h1-7H,14H2.
What are the key properties of 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline?
2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline has a molecular weight of 228.23 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-imidazo[4,5-b]pyridin-3-ylaniline is sourced from PubChem (CID 82512905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).