2-(2-hydroxyethylamino)pyridine-4-carboxylic acid

C8H10N2O3 — CID 53408816

IUPAC2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCO)c1
InChIInChI=1S/C8H10N2O3/c11-4-3-10-7-5-6(8(12)13)1-2-9-7/h1-2,5,11H,3-4H2,(H,9,10)(H,12,13)
InChIKeySUHYAPHKFXNWSJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.18
Rot. Bonds4

About 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid (PubChem CID 53408816) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
PubChem CID53408816
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCO)c1
InChIInChI=1S/C8H10N2O3/c11-4-3-10-7-5-6(8(12)13)1-2-9-7/h1-2,5,11H,3-4H2,(H,9,10)(H,12,13)
InChIKeySUHYAPHKFXNWSJ-UHFFFAOYSA-N
XLogP0.18
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-4-carboxylic acid
CID 106148732
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-[(3-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 65035612
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid (CID 53408816) is 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
The InChIKey is SUHYAPHKFXNWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-4-3-10-7-5-6(8(12)13)1-2-9-7/h1-2,5,11H,3-4H2,(H,9,10)(H,12,13).
What are the key properties of 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid?
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 53408816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).