2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid

C12H10ClN3O5 — CID 62857687

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C12H10ClN3O5/c1-19-6-3-4-7(9(17)18)8(5-6)21-12-15-10(13)14-11(16-12)20-2/h3-5H,1-2H3,(H,17,18)
InChIKeyGDLHWFJBZPLELE-UHFFFAOYSA-N
MW311.68 g/mol
LogP2.03
Rot. Bonds5

About 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid (PubChem CID 62857687) has the molecular formula C12H10ClN3O5 and a molecular weight of 311.68 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
PubChem CID62857687
Molecular FormulaC12H10ClN3O5
Molecular Weight311.68 g/mol
Exact Mass311.03
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(Oc2nc(Cl)nc(OC)n2)c1
InChIInChI=1S/C12H10ClN3O5/c1-19-6-3-4-7(9(17)18)8(5-6)21-12-15-10(13)14-11(16-12)20-2/h3-5H,1-2H3,(H,17,18)
InChIKeyGDLHWFJBZPLELE-UHFFFAOYSA-N
XLogP2.03
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.68
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid with MolForge

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Related Compounds

Ethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 697670
Benzoic acid, 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]bis-
CID 1922350
Methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate
CID 4159286
Methyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 694915
Methyl 4-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yloxy]benzoate
CID 6492124
2-(4-Methoxybenzoyloxy)-4,6-dimethoxy-1,3,5-triazine
CID 14783084
4,4',4''-(1,3,5-Triazine-2,4,6-triyltris(oxy))tris(benzoic acid)
CID 15606988
1,3,5-Triazin-2-yl 2-fluoro-4,6-dimethoxybenzoate
CID 175448171
Methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 4159214
2-Carboxy-5-hydroxyphenolate;1,3,5-triazin-1-ium-2,4,6-triamine;dihydrate
CID 139195937
[4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl] 4-methoxybenzoate
CID 53342809

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid (CID 62857687) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(Oc2nc(Cl)nc(OC)n2)c1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid?
The InChIKey is GDLHWFJBZPLELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O5/c1-19-6-3-4-7(9(17)18)8(5-6)21-12-15-10(13)14-11(16-12)20-2/h3-5H,1-2H3,(H,17,18).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid has a molecular weight of 311.68 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]-4-methoxybenzoic acid is sourced from PubChem (CID 62857687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).