5-carboxy-2-methylpyridin-3-olate

C7H6NO3- — CID 54690912

IUPAC5-carboxy-2-methylpyridin-3-olate
SMILESCc1ncc(C(=O)O)cc1[O-]
InChIInChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)/p-1
InChIKeyNYEFWJFPBFRRKU-UHFFFAOYSA-M
MW152.13 g/mol
LogP0.16
Rot. Bonds1

About 5-carboxy-2-methylpyridin-3-olate

5-carboxy-2-methylpyridin-3-olate (PubChem CID 54690912) has the molecular formula C7H6NO3- and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-carboxy-2-methylpyridin-3-olate.

Molecular Properties

Compound Name5-carboxy-2-methylpyridin-3-olate
PubChem CID54690912
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-carboxy-2-methylpyridin-3-olate
SMILESCc1ncc(C(=O)O)cc1[O-]
InChIInChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)/p-1
InChIKeyNYEFWJFPBFRRKU-UHFFFAOYSA-M
XLogP0.16
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carboxy-2-methylpyridin-3-olate?
The IUPAC name of 5-carboxy-2-methylpyridin-3-olate (CID 54690912) is 5-carboxy-2-methylpyridin-3-olate.
What is the SMILES notation for 5-carboxy-2-methylpyridin-3-olate?
The canonical SMILES for 5-carboxy-2-methylpyridin-3-olate is Cc1ncc(C(=O)O)cc1[O-].
What is the InChIKey of 5-carboxy-2-methylpyridin-3-olate?
The InChIKey is NYEFWJFPBFRRKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)/p-1.
What are the key properties of 5-carboxy-2-methylpyridin-3-olate?
5-carboxy-2-methylpyridin-3-olate has a molecular weight of 152.13 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carboxy-2-methylpyridin-3-olate is sourced from PubChem (CID 54690912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).