hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)

C28H28HfN8O8 — CID 175185919

IUPAChafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
SMILESO=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.[Hf+4]
InChIInChI=1S/4C7H8N2O2.Hf/c4*10-7(11)5-9-6-3-1-2-4-8-6;/h4*1-4H,5H2,(H,8,9)(H,10,11);/q;;;;+4/p-4
InChIKeyGVKWARKJPJAYPQ-UHFFFAOYSA-J
MW783.07 g/mol
LogP-3.03
Rot. Bonds12

About hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)

hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate) (PubChem CID 175185919) has the molecular formula C28H28HfN8O8 and a molecular weight of 783.07 g/mol. Its IUPAC name is hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate).

Molecular Properties

Compound Namehafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
PubChem CID175185919
Molecular FormulaC28H28HfN8O8
Molecular Weight783.07 g/mol
Exact Mass784.15
IUPAC Namehafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)
SMILESO=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.[Hf+4]
InChIInChI=1S/4C7H8N2O2.Hf/c4*10-7(11)5-9-6-3-1-2-4-8-6;/h4*1-4H,5H2,(H,8,9)(H,10,11);/q;;;;+4/p-4
InChIKeyGVKWARKJPJAYPQ-UHFFFAOYSA-J
XLogP-3.03
TPSA260.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.07
LogP ≤ 5-3.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Related Compounds

methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
1-(3,4-dihydroxyphenyl)-2-(pyridin-2-ylamino)ethanone;hydrochloride
CID 54602396
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
N'-pyridin-2-ylmethanediamine
CID 115225472
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
1-(2-azaspiro[4.4]nonan-2-yl)-2-(pyridin-2-ylamino)ethanone
CID 166253169
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)?
The IUPAC name of hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate) (CID 175185919) is hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate).
What is the SMILES notation for hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)?
The canonical SMILES for hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate) is O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.O=C([O-])CNc1ccccn1.[Hf+4].
What is the InChIKey of hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)?
The InChIKey is GVKWARKJPJAYPQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H8N2O2.Hf/c4*10-7(11)5-9-6-3-1-2-4-8-6;/h4*1-4H,5H2,(H,8,9)(H,10,11);/q;;;;+4/p-4.
What are the key properties of hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate)?
hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate) has a molecular weight of 783.07 g/mol, XLogP of -3.03, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);tetrakis(2-(pyridin-2-ylamino)acetate) is sourced from PubChem (CID 175185919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).