5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol

C17H14FN3O — CID 169452184

IUPAC5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ccccn1
InChIInChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21)
InChIKeyFIQJLLWADQSRDK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.60
Rot. Bonds4

About 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol

5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol (PubChem CID 169452184) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol
PubChem CID169452184
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ccccn1
InChIInChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21)
InChIKeyFIQJLLWADQSRDK-UHFFFAOYSA-N
XLogP3.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-2-({[3-(Pyrimidin-2-Yl)pyridin-2-Yl]amino}methyl)phenol
CID 72376515
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2-(1,8-Naphthyridin-2-yl)phenol
CID 2761113
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol (CID 169452184) is 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1ccccn1.
What is the InChIKey of 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is FIQJLLWADQSRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-13-7-6-12(16(22)10-13)11-21-17-14(4-3-9-20-17)15-5-1-2-8-19-15/h1-10,22H,11H2,(H,20,21).
What are the key properties of 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol?
5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 295.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(3-pyridin-2-yl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 169452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).