[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate

C14H14N2NiO7 — CID 139045390

IUPAC[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate
SMILESO.O=C([O-])c1cccc(C(=O)[O-])n1.OCc1cccc(CO)n1.[Ni+2]
InChIInChI=1S/C7H5NO4.C7H9NO2.Ni.H2O/c9-6(10)4-2-1-3-5(8-4)7(11)12;9-4-6-2-1-3-7(5-10)8-6;;/h1-3H,(H,9,10)(H,11,12);1-3,9-10H,4-5H2;;1H2/q;;+2;/p-2
InChIKeyWYGMBMSNAGCPAH-UHFFFAOYSA-L
MW380.97 g/mol
LogP-2.95
Rot. Bonds4

About [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate

[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate (PubChem CID 139045390) has the molecular formula C14H14N2NiO7 and a molecular weight of 380.97 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate
PubChem CID139045390
Molecular FormulaC14H14N2NiO7
Molecular Weight380.97 g/mol
Exact Mass380.02
IUPAC Name[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate
SMILESO.O=C([O-])c1cccc(C(=O)[O-])n1.OCc1cccc(CO)n1.[Ni+2]
InChIInChI=1S/C7H5NO4.C7H9NO2.Ni.H2O/c9-6(10)4-2-1-3-5(8-4)7(11)12;9-4-6-2-1-3-7(5-10)8-6;;/h1-3H,(H,9,10)(H,11,12);1-3,9-10H,4-5H2;;1H2/q;;+2;/p-2
InChIKeyWYGMBMSNAGCPAH-UHFFFAOYSA-L
XLogP-2.95
TPSA178.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.97
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 134817533
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817536
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817537
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 134817538
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817539
6-[[4-[[6-(Dihydroxymethyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 134817542
6-[[4-[[6-(Dihydroxymethyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 135567436
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 135567441
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 138403149
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 138403150
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 138455183
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 155289233

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate?
The IUPAC name of [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate (CID 139045390) is [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate.
What is the SMILES notation for [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate?
The canonical SMILES for [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate is O.O=C([O-])c1cccc(C(=O)[O-])n1.OCc1cccc(CO)n1.[Ni+2].
What is the InChIKey of [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate?
The InChIKey is WYGMBMSNAGCPAH-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO4.C7H9NO2.Ni.H2O/c9-6(10)4-2-1-3-5(8-4)7(11)12;9-4-6-2-1-3-7(5-10)8-6;;/h1-3H,(H,9,10)(H,11,12);1-3,9-10H,4-5H2;;1H2/q;;+2;/p-2.
What are the key properties of [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate?
[6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate has a molecular weight of 380.97 g/mol, XLogP of -2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-pyridinyl]methanol;nickel(2+);pyridine-2,6-dicarboxylate;hydrate is sourced from PubChem (CID 139045390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).