tetrakis(pyridine-2-carboxylic acid);titanium

C24H20N4O8Ti — CID 171905431

IUPACtetrakis(pyridine-2-carboxylic acid);titanium
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ti]
InChIInChI=1S/4C6H5NO2.Ti/c4*8-6(9)5-3-1-2-4-7-5;/h4*1-4H,(H,8,9);
InChIKeyNEZLIMXPWFWTIE-UHFFFAOYSA-N
MW540.31 g/mol
LogP3.12
Rot. Bonds4

About tetrakis(pyridine-2-carboxylic acid);titanium

tetrakis(pyridine-2-carboxylic acid);titanium (PubChem CID 171905431) has the molecular formula C24H20N4O8Ti and a molecular weight of 540.31 g/mol. Its IUPAC name is tetrakis(pyridine-2-carboxylic acid);titanium.

Molecular Properties

Compound Nametetrakis(pyridine-2-carboxylic acid);titanium
PubChem CID171905431
Molecular FormulaC24H20N4O8Ti
Molecular Weight540.31 g/mol
Exact Mass540.08
IUPAC Nametetrakis(pyridine-2-carboxylic acid);titanium
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ti]
InChIInChI=1S/4C6H5NO2.Ti/c4*8-6(9)5-3-1-2-4-7-5;/h4*1-4H,(H,8,9);
InChIKeyNEZLIMXPWFWTIE-UHFFFAOYSA-N
XLogP3.12
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.31
LogP ≤ 53.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tetrakis(pyridine-2-carboxylic acid);titanium?
The IUPAC name of tetrakis(pyridine-2-carboxylic acid);titanium (CID 171905431) is tetrakis(pyridine-2-carboxylic acid);titanium.
What is the SMILES notation for tetrakis(pyridine-2-carboxylic acid);titanium?
The canonical SMILES for tetrakis(pyridine-2-carboxylic acid);titanium is O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ti].
What is the InChIKey of tetrakis(pyridine-2-carboxylic acid);titanium?
The InChIKey is NEZLIMXPWFWTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5NO2.Ti/c4*8-6(9)5-3-1-2-4-7-5;/h4*1-4H,(H,8,9);.
What are the key properties of tetrakis(pyridine-2-carboxylic acid);titanium?
tetrakis(pyridine-2-carboxylic acid);titanium has a molecular weight of 540.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pyridine-2-carboxylic acid);titanium is sourced from PubChem (CID 171905431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).