4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid

C16H10FN3O2 — CID 11551078

IUPAC4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H10FN3O2/c17-13-7-5-11(6-8-13)15-19-9-18-14(20-15)10-1-3-12(4-2-10)16(21)22/h1-9H,(H,21,22)
InChIKeyJMBCUYINJOBJNO-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.04
Rot. Bonds3

About 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid

4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid (PubChem CID 11551078) has the molecular formula C16H10FN3O2 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid
PubChem CID11551078
Molecular FormulaC16H10FN3O2
Molecular Weight295.27 g/mol
Exact Mass295.08
IUPAC Name4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncnc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H10FN3O2/c17-13-7-5-11(6-8-13)15-19-9-18-14(20-15)10-1-3-12(4-2-10)16(21)22/h1-9H,(H,21,22)
InChIKeyJMBCUYINJOBJNO-UHFFFAOYSA-N
XLogP3.04
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3,5-triazin-2-yl)benzoic acid
CID 21314401
6-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 22730186
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
4-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]benzoic acid
CID 155666200
2-(4-fluorophenyl)-4-pyridin-2-yl-1,3,5-triazine
CID 19738064
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane
CID 91591144
4-(4-methylpyrimidin-2-yl)benzoic acid
CID 105467466
4-pyrimidin-2-ylbenzoic acid;hydrochloride
CID 45117414
4-(2-phenylpyrimidin-4-yl)benzoic acid
CID 11637659
terephthalic acid
CID 160582437
4-(1H-1,2,4-triazol-5-yl)benzoic acid
CID 6484109
ethane;4-[4-(2-fluorophenyl)pyrimidin-2-yl]benzoic acid
CID 143218295

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid (CID 11551078) is 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid is O=C(O)c1ccc(-c2ncnc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid?
The InChIKey is JMBCUYINJOBJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2/c17-13-7-5-11(6-8-13)15-19-9-18-14(20-15)10-1-3-12(4-2-10)16(21)22/h1-9H,(H,21,22).
What are the key properties of 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid?
4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid has a molecular weight of 295.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3,5-triazin-2-yl]benzoic acid is sourced from PubChem (CID 11551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).