6-(1-hydroxyethyl)pyridine-2-carboxylate

C8H8NO3- — CID 140749333

IUPAC6-(1-hydroxyethyl)pyridine-2-carboxylate
SMILESCC(O)c1cccc(C(=O)[O-])n1
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(9-6)8(11)12/h2-5,10H,1H3,(H,11,12)/p-1
InChIKeyIXBWOSMPHGADCX-UHFFFAOYSA-M
MW166.16 g/mol
LogP-0.50
Rot. Bonds2

About 6-(1-hydroxyethyl)pyridine-2-carboxylate

6-(1-hydroxyethyl)pyridine-2-carboxylate (PubChem CID 140749333) has the molecular formula C8H8NO3- and a molecular weight of 166.16 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name6-(1-hydroxyethyl)pyridine-2-carboxylate
PubChem CID140749333
Molecular FormulaC8H8NO3-
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name6-(1-hydroxyethyl)pyridine-2-carboxylate
SMILESCC(O)c1cccc(C(=O)[O-])n1
InChIInChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(9-6)8(11)12/h2-5,10H,1H3,(H,11,12)/p-1
InChIKeyIXBWOSMPHGADCX-UHFFFAOYSA-M
XLogP-0.50
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2,2-trifluoro-1-hydroxyethyl)pyridine-2-carboxylate
CID 140749336
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
tris(pyridine-2,6-dicarboxylate);bis(ruthenium(3+))
CID 161281682
calcium pyridine-2,6-dicarboxylate
CID 11708274
bis(6-propan-2-yl-2-pyridinyl)methanone
CID 150446878
6-propan-2-ylpyridine-2-carbonyl chloride
CID 130153225
lithium 6-(sulfomethyl)pyridine-2-carboxylate
CID 102529660
6-(1-hydroxyethyl)pyridine-2-sulfonamide
CID 175892536
6-[hydroxy(methoxy)methyl]pyridine-2-carboxylic acid
CID 146294484
cobalt(3+);tris(ethane-1,2-diamine);lanthanum(3+);tris(pyridine-2,6-dicarboxylate);tetrahydrate
CID 139203405
3-[6-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
CID 69122207
trisodium;6-[[bis[(6-carboxylato-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylate
CID 102087870

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)pyridine-2-carboxylate?
The IUPAC name of 6-(1-hydroxyethyl)pyridine-2-carboxylate (CID 140749333) is 6-(1-hydroxyethyl)pyridine-2-carboxylate.
What is the SMILES notation for 6-(1-hydroxyethyl)pyridine-2-carboxylate?
The canonical SMILES for 6-(1-hydroxyethyl)pyridine-2-carboxylate is CC(O)c1cccc(C(=O)[O-])n1.
What is the InChIKey of 6-(1-hydroxyethyl)pyridine-2-carboxylate?
The InChIKey is IXBWOSMPHGADCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO3/c1-5(10)6-3-2-4-7(9-6)8(11)12/h2-5,10H,1H3,(H,11,12)/p-1.
What are the key properties of 6-(1-hydroxyethyl)pyridine-2-carboxylate?
6-(1-hydroxyethyl)pyridine-2-carboxylate has a molecular weight of 166.16 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)pyridine-2-carboxylate is sourced from PubChem (CID 140749333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).