5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol

C15H13FN4O — CID 169452192

IUPAC5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ncc[nH]1
InChIInChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19)
InChIKeyMFPPUJHTLAJSCS-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.93
Rot. Bonds4

About 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 169452192) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID169452192
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ncc[nH]1
InChIInChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19)
InChIKeyMFPPUJHTLAJSCS-UHFFFAOYSA-N
XLogP2.93
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol (CID 169452192) is 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1ncc[nH]1.
What is the InChIKey of 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is MFPPUJHTLAJSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-11-4-3-10(13(21)8-11)9-20-15-12(2-1-5-17-15)14-18-6-7-19-14/h1-8,21H,9H2,(H,17,20)(H,18,19).
What are the key properties of 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 284.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1H-imidazol-2-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 169452192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).