5-(3-hydroxypropylamino)pyridine-2-carboxylic acid

C9H12N2O3 — CID 115490634

IUPAC5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCCO)cn1
InChIInChI=1S/C9H12N2O3/c12-5-1-4-10-7-2-3-8(9(13)14)11-6-7/h2-3,6,10,12H,1,4-5H2,(H,13,14)
InChIKeyPGDXRQCBIQXCOA-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds5

About 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid

5-(3-hydroxypropylamino)pyridine-2-carboxylic acid (PubChem CID 115490634) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
PubChem CID115490634
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCCCO)cn1
InChIInChI=1S/C9H12N2O3/c12-5-1-4-10-7-2-3-8(9(13)14)11-6-7/h2-3,6,10,12H,1,4-5H2,(H,13,14)
InChIKeyPGDXRQCBIQXCOA-UHFFFAOYSA-N
XLogP0.57
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 115490708
5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
5-(2-carbamoyloxyethylamino)pyridine-2-carboxylic acid
CID 104638978
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 113435949
5-[2-(3,5-difluorophenyl)ethylamino]pyridine-2-carboxylic acid
CID 115490672
6-(3-hydroxypropylamino)pyridazine-3-carboxylic acid
CID 62487995
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid (CID 115490634) is 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCCCO)cn1.
What is the InChIKey of 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid?
The InChIKey is PGDXRQCBIQXCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-5-1-4-10-7-2-3-8(9(13)14)11-6-7/h2-3,6,10,12H,1,4-5H2,(H,13,14).
What are the key properties of 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid?
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).