2-(3-hydroxypropylamino)pyridine-4-carboxylic acid

C9H12N2O3 — CID 53408821

IUPAC2-(3-hydroxypropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCO)c1
InChIInChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)
InChIKeyFWYOTGNTHMHGFK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds5

About 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid

2-(3-hydroxypropylamino)pyridine-4-carboxylic acid (PubChem CID 53408821) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)pyridine-4-carboxylic acid
PubChem CID53408821
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-hydroxypropylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCCO)c1
InChIInChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)
InChIKeyFWYOTGNTHMHGFK-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

2-Aminonicotinic acid
CID 72930
6-Aminonicotinic acid
CID 18496
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
Methyl 2-aminopyridine-4-carboxylate
CID 236984
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
2-Aminopyridine-4-carboxylic acid
CID 278396
2-(Benzylamino)nicotinic acid
CID 214596
Ethyl 2-aminopyridine-4-carboxylate
CID 7015521
6-(Acetylamino)nicotinic acid
CID 419744
6-(Phenylamino)nicotinic acid
CID 2771812
6-Amino-4-methylnicotinic acid
CID 9964149

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid (CID 53408821) is 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCCO)c1.
What is the InChIKey of 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid?
The InChIKey is FWYOTGNTHMHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14).
What are the key properties of 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid?
2-(3-hydroxypropylamino)pyridine-4-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 2-(3-hydroxypropylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 53408821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).