4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid

C10H6Cl2N4O2 — CID 15883640

IUPAC4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)
InChIKeyMTBNVBBMBVPJHP-UHFFFAOYSA-N
MW285.09 g/mol
LogP2.62
Rot. Bonds3

About 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid

4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid (PubChem CID 15883640) has the molecular formula C10H6Cl2N4O2 and a molecular weight of 285.09 g/mol. Its IUPAC name is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
PubChem CID15883640
Molecular FormulaC10H6Cl2N4O2
Molecular Weight285.09 g/mol
Exact Mass283.99
IUPAC Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)
InChIKeyMTBNVBBMBVPJHP-UHFFFAOYSA-N
XLogP2.62
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid (CID 15883640) is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid is O=C(O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid?
The InChIKey is MTBNVBBMBVPJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-5(2-4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16).
What are the key properties of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid?
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid has a molecular weight of 285.09 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzoic acid is sourced from PubChem (CID 15883640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).