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

C13H11FN6O — CID 171807238

IUPAC5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nn[nH]n1
InChIInChI=1S/C13H11FN6O/c14-9-4-3-8(11(21)6-9)7-16-12-10(2-1-5-15-12)13-17-19-20-18-13/h1-6,21H,7H2,(H,15,16)(H,17,18,19,20)
InChIKeyWLAMFJULOLBBRY-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.72
Rot. Bonds4

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

5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807238) has the molecular formula C13H11FN6O and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807238
Molecular FormulaC13H11FN6O
Molecular Weight286.27 g/mol
Exact Mass286.10
IUPAC Name5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol
SMILESOc1cc(F)ccc1CNc1ncccc1-c1nn[nH]n1
InChIInChI=1S/C13H11FN6O/c14-9-4-3-8(11(21)6-9)7-16-12-10(2-1-5-15-12)13-17-19-20-18-13/h1-6,21H,7H2,(H,15,16)(H,17,18,19,20)
InChIKeyWLAMFJULOLBBRY-UHFFFAOYSA-N
XLogP1.72
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[[[3-(2H-tetrazol-5-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

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
Phenol, 2,6-dimethyl-4-[[5-(4-pyridinyl)-1H-1,2,3,4-tetrazol-1-yl]methyl]-
CID 1503698
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
2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenol
CID 918274
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol
CID 169452184
5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452185
5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452188
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-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452190

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807238) is 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol is Oc1cc(F)ccc1CNc1ncccc1-c1nn[nH]n1.
What is the InChIKey of 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is WLAMFJULOLBBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O/c14-9-4-3-8(11(21)6-9)7-16-12-10(2-1-5-15-12)13-17-19-20-18-13/h1-6,21H,7H2,(H,15,16)(H,17,18,19,20).
What are the key properties of 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 286.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[[3-(2H-tetrazol-5-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).