2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione

C10H7ClFN3O3 — CID 14276957

IUPAC2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C10H7ClFN3O3/c1-14-9(17)4-13-15(10(14)18)7-3-8(16)5(11)2-6(7)12/h2-4,16H,1H3
InChIKeyXULRREZBXRHWTM-UHFFFAOYSA-N
MW271.63 g/mol
LogP0.43
Rot. Bonds1

About 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione

2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 14276957) has the molecular formula C10H7ClFN3O3 and a molecular weight of 271.63 g/mol. Its IUPAC name is 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID14276957
Molecular FormulaC10H7ClFN3O3
Molecular Weight271.63 g/mol
Exact Mass271.02
IUPAC Name2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2cc(O)c(Cl)cc2F)c1=O
InChIInChI=1S/C10H7ClFN3O3/c1-14-9(17)4-13-15(10(14)18)7-3-8(16)5(11)2-6(7)12/h2-4,16H,1H3
InChIKeyXULRREZBXRHWTM-UHFFFAOYSA-N
XLogP0.43
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione (CID 14276957) is 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(-c2cc(O)c(Cl)cc2F)c1=O.
What is the InChIKey of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is XULRREZBXRHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O3/c1-14-9(17)4-13-15(10(14)18)7-3-8(16)5(11)2-6(7)12/h2-4,16H,1H3.
What are the key properties of 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione?
2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 271.63 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 14276957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).