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

C15H14FN5O — CID 171807254

IUPAC5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCn1cc(-c2cccnc2NCc2ccc(F)cc2O)nn1
InChIInChI=1S/C15H14FN5O/c1-21-9-13(19-20-21)12-3-2-6-17-15(12)18-8-10-4-5-11(16)7-14(10)22/h2-7,9,22H,8H2,1H3,(H,17,18)
InChIKeyXGRSGGJSYVXALX-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.33
Rot. Bonds4

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

5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol (PubChem CID 171807254) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol
PubChem CID171807254
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol
SMILESCn1cc(-c2cccnc2NCc2ccc(F)cc2O)nn1
InChIInChI=1S/C15H14FN5O/c1-21-9-13(19-20-21)12-3-2-6-17-15(12)18-8-10-4-5-11(16)7-14(10)22/h2-7,9,22H,8H2,1H3,(H,17,18)
InChIKeyXGRSGGJSYVXALX-UHFFFAOYSA-N
XLogP2.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.33
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
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
2-Fluoro-4-(5-imidazol-1-ylmethyl-pyridin-2-yl)-phenol
CID 136008115
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The IUPAC name of 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol (CID 171807254) is 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol.
What is the SMILES notation for 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The canonical SMILES for 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol is Cn1cc(-c2cccnc2NCc2ccc(F)cc2O)nn1.
What is the InChIKey of 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
The InChIKey is XGRSGGJSYVXALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-21-9-13(19-20-21)12-3-2-6-17-15(12)18-8-10-4-5-11(16)7-14(10)22/h2-7,9,22H,8H2,1H3,(H,17,18).
What are the key properties of 5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol?
5-fluoro-2-[[[3-(1-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol has a molecular weight of 299.31 g/mol, XLogP of 2.33, 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-methyltriazol-4-yl)-2-pyridinyl]amino]methyl]phenol is sourced from PubChem (CID 171807254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).