4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol

C20H16FN3O — CID 90468390

IUPAC4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol
SMILESCn1c(-c2cccc(F)c2)cc2cnc(Nc3ccc(O)cc3)cc21
InChIInChI=1S/C20H16FN3O/c1-24-18(13-3-2-4-15(21)9-13)10-14-12-22-20(11-19(14)24)23-16-5-7-17(25)8-6-16/h2-12,25H,1H3,(H,22,23)
InChIKeyCHOUSKMDYBJBRK-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.83
Rot. Bonds3

About 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol

4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol (PubChem CID 90468390) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol
PubChem CID90468390
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol
SMILESCn1c(-c2cccc(F)c2)cc2cnc(Nc3ccc(O)cc3)cc21
InChIInChI=1S/C20H16FN3O/c1-24-18(13-3-2-4-15(21)9-13)10-14-12-22-20(11-19(14)24)23-16-5-7-17(25)8-6-16/h2-12,25H,1H3,(H,22,23)
InChIKeyCHOUSKMDYBJBRK-UHFFFAOYSA-N
XLogP4.83
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The IUPAC name of 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol (CID 90468390) is 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The canonical SMILES for 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol is Cn1c(-c2cccc(F)c2)cc2cnc(Nc3ccc(O)cc3)cc21.
What is the InChIKey of 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
The InChIKey is CHOUSKMDYBJBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-24-18(13-3-2-4-15(21)9-13)10-14-12-22-20(11-19(14)24)23-16-5-7-17(25)8-6-16/h2-12,25H,1H3,(H,22,23).
What are the key properties of 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol?
4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol has a molecular weight of 333.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol is sourced from PubChem (CID 90468390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).