sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride

C15H16NNaO5 — CID 174676062

IUPACsodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride
SMILESCOc1cc(OC)nc(-c2cc(OC)ccc2C(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C15H15NO5.Na.H/c1-19-9-4-5-11(15(17)18)12(6-9)13-7-10(20-2)8-14(16-13)21-3;;/h4-8H,1-3H3,(H,17,18);;/q;+1;-1
InChIKeyBSCDRHVLPLHXEU-UHFFFAOYSA-N
MW313.29 g/mol
LogP-0.41
Rot. Bonds5

About sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride

sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride (PubChem CID 174676062) has the molecular formula C15H16NNaO5 and a molecular weight of 313.29 g/mol. Its IUPAC name is sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride.

Molecular Properties

Compound Namesodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride
PubChem CID174676062
Molecular FormulaC15H16NNaO5
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Namesodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride
SMILESCOc1cc(OC)nc(-c2cc(OC)ccc2C(=O)O)c1.[H-].[Na+]
InChIInChI=1S/C15H15NO5.Na.H/c1-19-9-4-5-11(15(17)18)12(6-9)13-7-10(20-2)8-14(16-13)21-3;;/h4-8H,1-3H3,(H,17,18);;/q;+1;-1
InChIKeyBSCDRHVLPLHXEU-UHFFFAOYSA-N
XLogP-0.41
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
2-(2,5-dimethoxyphenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3972105
2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953853
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
CID 171375610
CID 171375610
4-fluoro-2-(4-methoxy-2-methylphenyl)benzoic acid
CID 53211212

Frequently Asked Questions

What is the IUPAC name of sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride?
The IUPAC name of sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride (CID 174676062) is sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride.
What is the SMILES notation for sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride?
The canonical SMILES for sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride is COc1cc(OC)nc(-c2cc(OC)ccc2C(=O)O)c1.[H-].[Na+].
What is the InChIKey of sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride?
The InChIKey is BSCDRHVLPLHXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5.Na.H/c1-19-9-4-5-11(15(17)18)12(6-9)13-7-10(20-2)8-14(16-13)21-3;;/h4-8H,1-3H3,(H,17,18);;/q;+1;-1.
What are the key properties of sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride?
sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride has a molecular weight of 313.29 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(4,6-dimethoxy-2-pyridinyl)-4-methoxybenzoic acid;hydride is sourced from PubChem (CID 174676062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).