nickel;pyridine-3-carboxylic acid

C6H5NNiO2 — CID 174049937

IUPACnickel;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.[Ni]
InChIInChI=1S/C6H5NO2.Ni/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);
InChIKeyPSLMFJWKWLEASI-UHFFFAOYSA-N
MW181.80 g/mol
LogP0.78
Rot. Bonds1

About nickel;pyridine-3-carboxylic acid

nickel;pyridine-3-carboxylic acid (PubChem CID 174049937) has the molecular formula C6H5NNiO2 and a molecular weight of 181.80 g/mol. Its IUPAC name is nickel;pyridine-3-carboxylic acid.

Molecular Properties

Compound Namenickel;pyridine-3-carboxylic acid
PubChem CID174049937
Molecular FormulaC6H5NNiO2
Molecular Weight181.80 g/mol
Exact Mass180.97
IUPAC Namenickel;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.[Ni]
InChIInChI=1S/C6H5NO2.Ni/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);
InChIKeyPSLMFJWKWLEASI-UHFFFAOYSA-N
XLogP0.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.80
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze nickel;pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157283677
CID 157283677
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
iodoethane;pyridine-3-carboxylic acid
CID 158495952
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065
2-hydroxybenzaldehyde;pyridine-3-carboxylic acid
CID 158573582

Frequently Asked Questions

What is the IUPAC name of nickel;pyridine-3-carboxylic acid?
The IUPAC name of nickel;pyridine-3-carboxylic acid (CID 174049937) is nickel;pyridine-3-carboxylic acid.
What is the SMILES notation for nickel;pyridine-3-carboxylic acid?
The canonical SMILES for nickel;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.[Ni].
What is the InChIKey of nickel;pyridine-3-carboxylic acid?
The InChIKey is PSLMFJWKWLEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.Ni/c8-6(9)5-2-1-3-7-4-5;/h1-4H,(H,8,9);.
What are the key properties of nickel;pyridine-3-carboxylic acid?
nickel;pyridine-3-carboxylic acid has a molecular weight of 181.80 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;pyridine-3-carboxylic acid is sourced from PubChem (CID 174049937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).