sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate

C12H9N2NaO3 — CID 71528602

IUPACsodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
SMILESCOc1cc(C(=O)[O-])nc(-c2ccccn2)c1.[Na+]
InChIInChI=1S/C12H10N2O3.Na/c1-17-8-6-10(9-4-2-3-5-13-9)14-11(7-8)12(15)16;/h2-7H,1H3,(H,15,16);/q;+1/p-1
InChIKeyLAWVJZXYKJQQLF-UHFFFAOYSA-M
MW252.21 g/mol
LogP-2.48
Rot. Bonds3

About sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate

sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate (PubChem CID 71528602) has the molecular formula C12H9N2NaO3 and a molecular weight of 252.21 g/mol. Its IUPAC name is sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
PubChem CID71528602
Molecular FormulaC12H9N2NaO3
Molecular Weight252.21 g/mol
Exact Mass252.05
IUPAC Namesodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate
SMILESCOc1cc(C(=O)[O-])nc(-c2ccccn2)c1.[Na+]
InChIInChI=1S/C12H10N2O3.Na/c1-17-8-6-10(9-4-2-3-5-13-9)14-11(7-8)12(15)16;/h2-7H,1H3,(H,15,16);/q;+1/p-1
InChIKeyLAWVJZXYKJQQLF-UHFFFAOYSA-M
XLogP-2.48
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
4-[4-[3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122221010
(2,4-dimethoxyphenyl)-(6-pyridin-2-yl-2-pyridinyl)methanone
CID 135252418
ethanol;oxygen(2-);pyridine-2,6-dicarboxylate;2-pyridin-2-ylpyridine;vanadium(4+)
CID 139080605
(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
N-methoxy-N-(4-methoxy-6-pyridin-2-yl-2-pyridinyl)formamide
CID 22075347
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
N'-hydroxy-4-methoxy-6-(4-methoxy-2-pyridinyl)pyridine-2-carboximidamide
CID 135455563
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
methanol;bis(6-(6-pyridin-2-yl-2-pyridinyl)pyridine-2-carboxylate);bis(terbium(3+));tetrakis((Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)
CID 139140582
(NE)-N-[(6-methoxynaphthalen-2-yl)-(6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
CID 142403341
4-[3-(4-methoxyphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 86064133

Frequently Asked Questions

What is the IUPAC name of sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate?
The IUPAC name of sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate (CID 71528602) is sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate.
What is the SMILES notation for sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate?
The canonical SMILES for sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate is COc1cc(C(=O)[O-])nc(-c2ccccn2)c1.[Na+].
What is the InChIKey of sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate?
The InChIKey is LAWVJZXYKJQQLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10N2O3.Na/c1-17-8-6-10(9-4-2-3-5-13-9)14-11(7-8)12(15)16;/h2-7H,1H3,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate?
sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate has a molecular weight of 252.21 g/mol, XLogP of -2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-methoxy-6-pyridin-2-ylpyridine-2-carboxylate is sourced from PubChem (CID 71528602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).