chromium;tris(pyridine-2-carboxylic acid)

C18H15CrN3O6 — CID 625469

IUPACchromium;tris(pyridine-2-carboxylic acid)
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Cr]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);
InChIKeyGJYSUGXFENSLOO-UHFFFAOYSA-N
MW421.33 g/mol
LogP2.34
Rot. Bonds3

About chromium;tris(pyridine-2-carboxylic acid)

chromium;tris(pyridine-2-carboxylic acid) (PubChem CID 625469) has the molecular formula C18H15CrN3O6 and a molecular weight of 421.33 g/mol. Its IUPAC name is chromium;tris(pyridine-2-carboxylic acid).

Molecular Properties

Compound Namechromium;tris(pyridine-2-carboxylic acid)
PubChem CID625469
Molecular FormulaC18H15CrN3O6
Molecular Weight421.33 g/mol
Exact Mass421.04
IUPAC Namechromium;tris(pyridine-2-carboxylic acid)
SMILESO=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Cr]
InChIInChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);
InChIKeyGJYSUGXFENSLOO-UHFFFAOYSA-N
XLogP2.34
TPSA150.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of chromium;tris(pyridine-2-carboxylic acid)?
The IUPAC name of chromium;tris(pyridine-2-carboxylic acid) (CID 625469) is chromium;tris(pyridine-2-carboxylic acid).
What is the SMILES notation for chromium;tris(pyridine-2-carboxylic acid)?
The canonical SMILES for chromium;tris(pyridine-2-carboxylic acid) is O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Cr].
What is the InChIKey of chromium;tris(pyridine-2-carboxylic acid)?
The InChIKey is GJYSUGXFENSLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5NO2.Cr/c3*8-6(9)5-3-1-2-4-7-5;/h3*1-4H,(H,8,9);.
What are the key properties of chromium;tris(pyridine-2-carboxylic acid)?
chromium;tris(pyridine-2-carboxylic acid) has a molecular weight of 421.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;tris(pyridine-2-carboxylic acid) is sourced from PubChem (CID 625469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).