2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid

C10H14N2O4 — CID 171881352

IUPAC2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
SMILESNCCC(O)C(O)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O4/c11-4-3-7(13)9(14)8-6(10(15)16)2-1-5-12-8/h1-2,5,7,9,13-14H,3-4,11H2,(H,15,16)
InChIKeyAXMGCMNKHKRLEQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.48
Rot. Bonds5

About 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid

2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid (PubChem CID 171881352) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
PubChem CID171881352
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
SMILESNCCC(O)C(O)c1ncccc1C(=O)O
InChIInChI=1S/C10H14N2O4/c11-4-3-7(13)9(14)8-6(10(15)16)2-1-5-12-8/h1-2,5,7,9,13-14H,3-4,11H2,(H,15,16)
InChIKeyAXMGCMNKHKRLEQ-UHFFFAOYSA-N
XLogP-0.48
TPSA116.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-carboxy-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 170824061
2-(dihydroxymethyl)pyridine-3-carboxylic acid
CID 91298462
2-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881130
2-(3-ethoxy-1,2-dihydroxy-3-oxopropyl)pyridine-3-carboxylic acid
CID 171866199
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
2-(2-cyano-1,2-dihydroxyethyl)pyridine-3-carboxylic acid
CID 171870325
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
2-amino-3-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881717
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
2-amino-5-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881708
2-(4-amino-1,2-dihydroxybutyl)benzamide
CID 171882384
5-(4-amino-1,2-dihydroxybutyl)-2-chloropyridine-3-carboxylic acid
CID 171881681

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid (CID 171881352) is 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid is NCCC(O)C(O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
The InChIKey is AXMGCMNKHKRLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c11-4-3-7(13)9(14)8-6(10(15)16)2-1-5-12-8/h1-2,5,7,9,13-14H,3-4,11H2,(H,15,16).
What are the key properties of 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid?
2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171881352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).