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

C19H14FN3O — CID 71728829

IUPAC4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1
InChIInChI=1S/C19H14FN3O/c20-13-3-1-2-12(10-13)18-11-16-17(23-18)8-9-21-19(16)22-14-4-6-15(24)7-5-14/h1-11,23-24H,(H,21,22)
InChIKeyWYEGVPRHFRZJBT-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.82
Rot. Bonds3

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

4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (PubChem CID 71728829) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
PubChem CID71728829
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1
InChIInChI=1S/C19H14FN3O/c20-13-3-1-2-12(10-13)18-11-16-17(23-18)8-9-21-19(16)22-14-4-6-15(24)7-5-14/h1-11,23-24H,(H,21,22)
InChIKeyWYEGVPRHFRZJBT-UHFFFAOYSA-N
XLogP4.82
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol (CID 71728829) is 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is Oc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)cc1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
The InChIKey is WYEGVPRHFRZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-13-3-1-2-12(10-13)18-11-16-17(23-18)8-9-21-19(16)22-14-4-6-15(24)7-5-14/h1-11,23-24H,(H,21,22).
What are the key properties of 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol?
4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol has a molecular weight of 319.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]amino]phenol is sourced from PubChem (CID 71728829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).