sodium 3-(2-methylpropoxy)pyridine-4-carboxylate

C10H12NNaO3 — CID 172826059

IUPACsodium 3-(2-methylpropoxy)pyridine-4-carboxylate
SMILESCC(C)COc1cnccc1C(=O)[O-].[Na+]
InChIInChI=1S/C10H13NO3.Na/c1-7(2)6-14-9-5-11-4-3-8(9)10(12)13;/h3-5,7H,6H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyUWLQAOGLNQVYDW-UHFFFAOYSA-M
MW217.20 g/mol
LogP-2.52
Rot. Bonds4

About sodium 3-(2-methylpropoxy)pyridine-4-carboxylate

sodium 3-(2-methylpropoxy)pyridine-4-carboxylate (PubChem CID 172826059) has the molecular formula C10H12NNaO3 and a molecular weight of 217.20 g/mol. Its IUPAC name is sodium 3-(2-methylpropoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Namesodium 3-(2-methylpropoxy)pyridine-4-carboxylate
PubChem CID172826059
Molecular FormulaC10H12NNaO3
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Namesodium 3-(2-methylpropoxy)pyridine-4-carboxylate
SMILESCC(C)COc1cnccc1C(=O)[O-].[Na+]
InChIInChI=1S/C10H13NO3.Na/c1-7(2)6-14-9-5-11-4-3-8(9)10(12)13;/h3-5,7H,6H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyUWLQAOGLNQVYDW-UHFFFAOYSA-M
XLogP-2.52
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 5-2.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
4-methoxypyridine-3-carboxylate
CID 26119064
2-amino-1-[4-(2-methylpropoxy)-3-pyridinyl]ethanol
CID 83885089
3-[2-hydroxy-3-(2-methoxyethoxy)propoxy]pyridine-4-carboxylic acid
CID 106988326
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
3-methoxy-4-[2-(2-methylpropoxy)phenyl]pyridine
CID 163311699
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81446500
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81445973
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814

Frequently Asked Questions

What is the IUPAC name of sodium 3-(2-methylpropoxy)pyridine-4-carboxylate?
The IUPAC name of sodium 3-(2-methylpropoxy)pyridine-4-carboxylate (CID 172826059) is sodium 3-(2-methylpropoxy)pyridine-4-carboxylate.
What is the SMILES notation for sodium 3-(2-methylpropoxy)pyridine-4-carboxylate?
The canonical SMILES for sodium 3-(2-methylpropoxy)pyridine-4-carboxylate is CC(C)COc1cnccc1C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-(2-methylpropoxy)pyridine-4-carboxylate?
The InChIKey is UWLQAOGLNQVYDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13NO3.Na/c1-7(2)6-14-9-5-11-4-3-8(9)10(12)13;/h3-5,7H,6H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 3-(2-methylpropoxy)pyridine-4-carboxylate?
sodium 3-(2-methylpropoxy)pyridine-4-carboxylate has a molecular weight of 217.20 g/mol, XLogP of -2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(2-methylpropoxy)pyridine-4-carboxylate is sourced from PubChem (CID 172826059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).