2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid

C10H11N3O4 — CID 171901339

IUPAC2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
SMILESN#CCC(O)C(O)c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C10H11N3O4/c11-2-1-7(14)8(15)5-3-6(10(16)17)9(12)13-4-5/h3-4,7-8,14-15H,1H2,(H2,12,13)(H,16,17)
InChIKeyUOERQTQIBYPDTR-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.33
Rot. Bonds4

About 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid

2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid (PubChem CID 171901339) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
PubChem CID171901339
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
SMILESN#CCC(O)C(O)c1cnc(N)c(C(=O)O)c1
InChIInChI=1S/C10H11N3O4/c11-2-1-7(14)8(15)5-3-6(10(16)17)9(12)13-4-5/h3-4,7-8,14-15H,1H2,(H2,12,13)(H,16,17)
InChIKeyUOERQTQIBYPDTR-UHFFFAOYSA-N
XLogP-0.33
TPSA140.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylic acid
CID 171874465
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
4-(3-cyano-1,2-dihydroxypropyl)pyridine-2-carboxylic acid
CID 171901062
methyl 2-amino-5-(4-amino-1,2-dihydroxy-4-oxobutyl)pyridine-3-carboxylate
CID 171899806
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
2-amino-3-(3-cyano-1,2-dihydroxypropyl)-5-methylbenzoic acid
CID 171901640
2-amino-3-(3-cyano-1,2-dihydroxypropyl)-5-fluorobenzoic acid
CID 171901628
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbohydrazide
CID 171901473
4-(3-acetyl-4-hydroxyphenyl)-3,4-dihydroxybutanenitrile
CID 171901250
4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900636

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid (CID 171901339) is 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid is N#CCC(O)C(O)c1cnc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid?
The InChIKey is UOERQTQIBYPDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-2-1-7(14)8(15)5-3-6(10(16)17)9(12)13-4-5/h3-4,7-8,14-15H,1H2,(H2,12,13)(H,16,17).
What are the key properties of 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid?
2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 171901339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).