calcium;hydride;pyridine-3-carboxylic acid

C6H7CaNO2 — CID 173013176

IUPACcalcium;hydride;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H5NO2.Ca.2H/c8-6(9)5-2-1-3-7-4-5;;;/h1-4H,(H,8,9);;;/q;+2;2*-1
InChIKeyFEYXAKQIGVTXEB-UHFFFAOYSA-N
MW165.21 g/mol
LogP0.62
Rot. Bonds1

About calcium;hydride;pyridine-3-carboxylic acid

calcium;hydride;pyridine-3-carboxylic acid (PubChem CID 173013176) has the molecular formula C6H7CaNO2 and a molecular weight of 165.21 g/mol. Its IUPAC name is calcium;hydride;pyridine-3-carboxylic acid.

Molecular Properties

Compound Namecalcium;hydride;pyridine-3-carboxylic acid
PubChem CID173013176
Molecular FormulaC6H7CaNO2
Molecular Weight165.21 g/mol
Exact Mass165.01
IUPAC Namecalcium;hydride;pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H5NO2.Ca.2H/c8-6(9)5-2-1-3-7-4-5;;;/h1-4H,(H,8,9);;;/q;+2;2*-1
InChIKeyFEYXAKQIGVTXEB-UHFFFAOYSA-N
XLogP0.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 157283677
CID 157283677
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CID 23620885
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CID 70159642
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;pyridine-3-carboxylic acid?
The IUPAC name of calcium;hydride;pyridine-3-carboxylic acid (CID 173013176) is calcium;hydride;pyridine-3-carboxylic acid.
What is the SMILES notation for calcium;hydride;pyridine-3-carboxylic acid?
The canonical SMILES for calcium;hydride;pyridine-3-carboxylic acid is O=C(O)c1cccnc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;pyridine-3-carboxylic acid?
The InChIKey is FEYXAKQIGVTXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.Ca.2H/c8-6(9)5-2-1-3-7-4-5;;;/h1-4H,(H,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;hydride;pyridine-3-carboxylic acid?
calcium;hydride;pyridine-3-carboxylic acid has a molecular weight of 165.21 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;pyridine-3-carboxylic acid is sourced from PubChem (CID 173013176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).