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

C13H10F2N4O — CID 65485788

IUPAC4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3cc(F)c(F)cc3N)nc2n1
InChIInChI=1S/C13H10F2N4O/c1-20-11-3-2-10-13(18-11)19-12(17-10)6-4-7(14)8(15)5-9(6)16/h2-5H,16H2,1H3,(H,17,18,19)
InChIKeyLSHDNDQKNQQYJI-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.49
Rot. Bonds2

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

4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (PubChem CID 65485788) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
PubChem CID65485788
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline
SMILESCOc1ccc2[nH]c(-c3cc(F)c(F)cc3N)nc2n1
InChIInChI=1S/C13H10F2N4O/c1-20-11-3-2-10-13(18-11)19-12(17-10)6-4-7(14)8(15)5-9(6)16/h2-5H,16H2,1H3,(H,17,18,19)
InChIKeyLSHDNDQKNQQYJI-UHFFFAOYSA-N
XLogP2.49
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.49
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 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline (CID 65485788) is 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is COc1ccc2[nH]c(-c3cc(F)c(F)cc3N)nc2n1.
What is the InChIKey of 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is LSHDNDQKNQQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-20-11-3-2-10-13(18-11)19-12(17-10)6-4-7(14)8(15)5-9(6)16/h2-5H,16H2,1H3,(H,17,18,19).
What are the key properties of 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline?
4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 276.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 65485788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).