1-ethoxypropan-2-ol;pyridine-3-carboxylic acid

C11H17NO4 — CID 158241647

IUPAC1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
SMILESCCOCC(C)O.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C5H12O2/c8-6(9)5-2-1-3-7-4-5;1-3-7-4-5(2)6/h1-4H,(H,8,9);5-6H,3-4H2,1-2H3
InChIKeyGFPNCALIPZNFHN-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.18
Rot. Bonds4

About 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid

1-ethoxypropan-2-ol;pyridine-3-carboxylic acid (PubChem CID 158241647) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
PubChem CID158241647
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
SMILESCCOCC(C)O.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C5H12O2/c8-6(9)5-2-1-3-7-4-5;1-3-7-4-5(2)6/h1-4H,(H,8,9);5-6H,3-4H2,1-2H3
InChIKeyGFPNCALIPZNFHN-UHFFFAOYSA-N
XLogP1.18
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
iodoethane;pyridine-3-carboxylic acid
CID 158495952
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
ethyl 2,2,2-trifluoroacetate;pyridine-3-carboxylic acid
CID 159414829
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065
2-hydroxyethyl(trimethyl)azanium;pyridine-3-carboxylic acid;chloride
CID 174889532
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
(2S)-2-amino-4-methylpentanoic acid;pyridine-3-carboxylic acid
CID 159388080
ethyl 2-methylpyridine-3-carboxylate;pyridine-3-carboxylic acid
CID 161330561

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid?
The IUPAC name of 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid (CID 158241647) is 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid?
The canonical SMILES for 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid is CCOCC(C)O.O=C(O)c1cccnc1.
What is the InChIKey of 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid?
The InChIKey is GFPNCALIPZNFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C5H12O2/c8-6(9)5-2-1-3-7-4-5;1-3-7-4-5(2)6/h1-4H,(H,8,9);5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid?
1-ethoxypropan-2-ol;pyridine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-ol;pyridine-3-carboxylic acid is sourced from PubChem (CID 158241647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).