5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid

C9H12N2O3 — CID 55268758

IUPAC5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
SMILESCC(O)C(N)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-5(12)8(10)6-2-7(9(13)14)4-11-3-6/h2-5,8,12H,10H2,1H3,(H,13,14)
InChIKeyGOCDUHSVRJOXKK-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds3

About 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid

5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid (PubChem CID 55268758) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
PubChem CID55268758
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid
SMILESCC(O)C(N)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-5(12)8(10)6-2-7(9(13)14)4-11-3-6/h2-5,8,12H,10H2,1H3,(H,13,14)
InChIKeyGOCDUHSVRJOXKK-UHFFFAOYSA-N
XLogP0.16
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
5-[(1R)-1-(methylamino)ethyl]pyridine-3-carboxylic acid
CID 131138422
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzoic acid
CID 130673379
(1R,2R)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 55270497
(1S,2S)-1-amino-1-(5-chloro-3-pyridinyl)propan-2-ol
CID 131023913
(1R,2S)-1-amino-1-[5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 131463737
4-[(1S,2R)-1-amino-2-hydroxypropyl]benzoic acid
CID 131021441
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946
5-[(1R)-1-amino-2-cyanoethyl]pyridine-3-carboxylic acid
CID 55276539
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid (CID 55268758) is 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid is CC(O)C(N)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid?
The InChIKey is GOCDUHSVRJOXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5(12)8(10)6-2-7(9(13)14)4-11-3-6/h2-5,8,12H,10H2,1H3,(H,13,14).
What are the key properties of 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid?
5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxypropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55268758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).