[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol

C12H12FN3O3 — CID 56712753

IUPAC[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol
SMILESCOc1nc(OC)nc(-c2ccc(F)c(CO)c2)n1
InChIInChI=1S/C12H12FN3O3/c1-18-11-14-10(15-12(16-11)19-2)7-3-4-9(13)8(5-7)6-17/h3-5,17H,6H2,1-2H3
InChIKeyWPZQWZWDOXNPNO-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.19
Rot. Bonds4

About [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol

[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol (PubChem CID 56712753) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol
PubChem CID56712753
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol
SMILESCOc1nc(OC)nc(-c2ccc(F)c(CO)c2)n1
InChIInChI=1S/C12H12FN3O3/c1-18-11-14-10(15-12(16-11)19-2)7-3-4-9(13)8(5-7)6-17/h3-5,17H,6H2,1-2H3
InChIKeyWPZQWZWDOXNPNO-UHFFFAOYSA-N
XLogP1.19
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol?
The IUPAC name of [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol (CID 56712753) is [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol.
What is the SMILES notation for [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol?
The canonical SMILES for [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol is COc1nc(OC)nc(-c2ccc(F)c(CO)c2)n1.
What is the InChIKey of [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol?
The InChIKey is WPZQWZWDOXNPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-18-11-14-10(15-12(16-11)19-2)7-3-4-9(13)8(5-7)6-17/h3-5,17H,6H2,1-2H3.
What are the key properties of [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol?
[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol has a molecular weight of 265.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-fluorophenyl]methanol is sourced from PubChem (CID 56712753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).