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

C6H6ClN3O4 — CID 114335242

IUPAC2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESCOc1nc(Cl)nc(OCC(=O)O)n1
InChIInChI=1S/C6H6ClN3O4/c1-13-5-8-4(7)9-6(10-5)14-2-3(11)12/h2H2,1H3,(H,11,12)
InChIKeyXZZXDFANQCYSBQ-UHFFFAOYSA-N
MW219.58 g/mol
LogP-0.00
Rot. Bonds4

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

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid (PubChem CID 114335242) has the molecular formula C6H6ClN3O4 and a molecular weight of 219.58 g/mol. Its IUPAC name is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid
PubChem CID114335242
Molecular FormulaC6H6ClN3O4
Molecular Weight219.58 g/mol
Exact Mass219.00
IUPAC Name2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid
SMILESCOc1nc(Cl)nc(OCC(=O)O)n1
InChIInChI=1S/C6H6ClN3O4/c1-13-5-8-4(7)9-6(10-5)14-2-3(11)12/h2H2,1H3,(H,11,12)
InChIKeyXZZXDFANQCYSBQ-UHFFFAOYSA-N
XLogP-0.00
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.58
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The IUPAC name of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid (CID 114335242) is 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid is COc1nc(Cl)nc(OCC(=O)O)n1.
What is the InChIKey of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
The InChIKey is XZZXDFANQCYSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O4/c1-13-5-8-4(7)9-6(10-5)14-2-3(11)12/h2H2,1H3,(H,11,12).
What are the key properties of 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid?
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid has a molecular weight of 219.58 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]acetic acid is sourced from PubChem (CID 114335242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).