1-(dimethylamino)ethanol;pyridine-3-carboxylic acid

C10H16N2O3 — CID 23620885

IUPAC1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
SMILESCC(O)N(C)C.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C4H11NO/c8-6(9)5-2-1-3-7-4-5;1-4(6)5(2)3/h1-4H,(H,8,9);4,6H,1-3H3
InChIKeyCKVLSNDQXAPMMI-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.67
Rot. Bonds2

About 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid

1-(dimethylamino)ethanol;pyridine-3-carboxylic acid (PubChem CID 23620885) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
PubChem CID23620885
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
SMILESCC(O)N(C)C.O=C(O)c1cccnc1
InChIInChI=1S/C6H5NO2.C4H11NO/c8-6(9)5-2-1-3-7-4-5;1-4(6)5(2)3/h1-4H,(H,8,9);4,6H,1-3H3
InChIKeyCKVLSNDQXAPMMI-UHFFFAOYSA-N
XLogP0.67
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

propane-1,2-diol;pyridine-3-carboxylic acid
CID 159503029
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
iodoethane;pyridine-3-carboxylic acid
CID 158495952
1-ethoxypropan-2-ol;pyridine-3-carboxylic acid
CID 158241647
hexane-1,2,3,4,5,6-hexol;pyridine-3-carboxylic acid
CID 174699065
silver;bis(pyridine-3-carboxylic acid);perchlorate
CID 139075999
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
(2S)-2-amino-4-methylpentanoic acid;pyridine-3-carboxylic acid
CID 159388080
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid?
The IUPAC name of 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid (CID 23620885) is 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid?
The canonical SMILES for 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid is CC(O)N(C)C.O=C(O)c1cccnc1.
What is the InChIKey of 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid?
The InChIKey is CKVLSNDQXAPMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2.C4H11NO/c8-6(9)5-2-1-3-7-4-5;1-4(6)5(2)3/h1-4H,(H,8,9);4,6H,1-3H3.
What are the key properties of 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid?
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethanol;pyridine-3-carboxylic acid is sourced from PubChem (CID 23620885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).