4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride

C10H15ClNO5- — CID 174633129

IUPAC4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
SMILESC[NH+](C)C.O=C(O)c1cc(O)c([O-])c(O)c1.[Cl-]
InChIInChI=1S/C7H6O5.C3H9N.ClH/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-4(2)3;/h1-2,8-10H,(H,11,12);1-3H3;1H/p-1
InChIKeyOVVVNFCPBAXLMA-UHFFFAOYSA-M
MW264.69 g/mol
LogP-4.37
Rot. Bonds1

About 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride

4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride (PubChem CID 174633129) has the molecular formula C10H15ClNO5- and a molecular weight of 264.69 g/mol. Its IUPAC name is 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride.

Molecular Properties

Compound Name4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
PubChem CID174633129
Molecular FormulaC10H15ClNO5-
Molecular Weight264.69 g/mol
Exact Mass264.06
IUPAC Name4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
SMILESC[NH+](C)C.O=C(O)c1cc(O)c([O-])c(O)c1.[Cl-]
InChIInChI=1S/C7H6O5.C3H9N.ClH/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-4(2)3;/h1-2,8-10H,(H,11,12);1-3H3;1H/p-1
InChIKeyOVVVNFCPBAXLMA-UHFFFAOYSA-M
XLogP-4.37
TPSA105.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 5-4.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
CID 175913194
bismuth 4-carboxy-2,6-dihydroxyphenolate
CID 54698176
trisodium;tris(4-carboxy-2,6-dihydroxyphenolate)
CID 139835133
hexakis(4-carboxy-2,6-dihydroxyphenolate);gadolinium(3+);scandium(3+)
CID 173410095
bismuth;copper;pentakis(4-carboxy-2,6-dihydroxyphenolate)
CID 175210164
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
CID 54682471
4-carboxy-2,6-dihydroxyphenolate;tetraethylazanium
CID 54723196
4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
CID 54750826
4-carboxy-2,6-dihydroxyphenolate;piperazin-1-ium
CID 87904175
3,4,5-trihydroxybenzoic acid
CID 370
lithium 5-carboxy-2,3-dihydroxyphenolate
CID 102269214
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845

Frequently Asked Questions

What is the IUPAC name of 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride?
The IUPAC name of 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride (CID 174633129) is 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride.
What is the SMILES notation for 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride?
The canonical SMILES for 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride is C[NH+](C)C.O=C(O)c1cc(O)c([O-])c(O)c1.[Cl-].
What is the InChIKey of 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride?
The InChIKey is OVVVNFCPBAXLMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O5.C3H9N.ClH/c8-4-1-3(7(11)12)2-5(9)6(4)10;1-4(2)3;/h1-2,8-10H,(H,11,12);1-3H3;1H/p-1.
What are the key properties of 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride?
4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride has a molecular weight of 264.69 g/mol, XLogP of -4.37, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride is sourced from PubChem (CID 174633129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).