5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol

C14H11FN4O2 — CID 169452190

IUPAC5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ncon1
InChIInChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17)
InChIKeyPKBBIWJHJGYQOB-UHFFFAOYSA-N
MW286.27 g/mol
LogP2.59
Rot. Bonds4

About 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol

5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 169452190) has the molecular formula C14H11FN4O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID169452190
Molecular FormulaC14H11FN4O2
Molecular Weight286.27 g/mol
Exact Mass286.09
IUPAC Name5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1ncon1
InChIInChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17)
InChIKeyPKBBIWJHJGYQOB-UHFFFAOYSA-N
XLogP2.59
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452189
5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452192
2-{[(3-Methylpyridin-2-yl)amino]methyl}phenol
CID 4167622
2-{4-amino-6-[(E)-2-pyridin-3-ylvinyl]-1,3,5-triazin-2-yl}phenol
CID 5293992
2-[[(3-Pyrimidin-2-yl-2-pyridinyl)amino]methyl]phenol
CID 122189306
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807238
5-Fluoro-2-[[[3-(1-methylimidazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807266
5-Fluoro-2-[[[3-(5-methylpyrimidin-2-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807270

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol (CID 169452190) is 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1ncon1.
What is the InChIKey of 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is PKBBIWJHJGYQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2/c15-10-4-3-9(12(20)6-10)7-17-13-11(2-1-5-16-13)14-18-8-21-19-14/h1-6,8,20H,7H2,(H,16,17).
What are the key properties of 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 286.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(1,2,4-oxadiazol-3-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 169452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).