3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid

C10H12N2O3 — CID 170476900

IUPAC3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
SMILESNc1cc(C=CCCO)cnc1C(=O)O
InChIInChI=1S/C10H12N2O3/c11-8-5-7(3-1-2-4-13)6-12-9(8)10(14)15/h1,3,5-6,13H,2,4,11H2,(H,14,15)
InChIKeyYWMFBBAUCFVTKW-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.76
Rot. Bonds4

About 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid

3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid (PubChem CID 170476900) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
PubChem CID170476900
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid
SMILESNc1cc(C=CCCO)cnc1C(=O)O
InChIInChI=1S/C10H12N2O3/c11-8-5-7(3-1-2-4-13)6-12-9(8)10(14)15/h1,3,5-6,13H,2,4,11H2,(H,14,15)
InChIKeyYWMFBBAUCFVTKW-UHFFFAOYSA-N
XLogP0.76
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(4-hydroxybut-1-enyl)benzoic acid
CID 170476973
4-(6-amino-5-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476193
5-(4-hydroxybut-1-enyl)-1,3-thiazole-4-carboxylic acid
CID 170476296
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
3-chloro-5-(4-oxobut-1-enyl)pyridine-2-carboxylic acid
CID 170482249
3-chloro-5-(4-hydroxybut-1-enyl)benzoic acid
CID 170476796
2-(4-hydroxybut-1-enyl)-1,3-thiazole-5-carboxylic acid
CID 170476297
2-chloro-5-(4-hydroxybut-1-enyl)pyridine-3-carbonitrile
CID 170476499
4-(5-amino-3-chloropyrazin-2-yl)but-3-en-1-ol
CID 170476337
4-[2-(trifluoromethyl)pyrimidin-5-yl]but-3-en-1-ol
CID 170476886
methyl 3-amino-5-[(E)-2-(3-amino-4-methoxycarbonylphenyl)ethenyl]pyridine-2-carboxylate
CID 176914411
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid (CID 170476900) is 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid is Nc1cc(C=CCCO)cnc1C(=O)O.
What is the InChIKey of 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid?
The InChIKey is YWMFBBAUCFVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c11-8-5-7(3-1-2-4-13)6-12-9(8)10(14)15/h1,3,5-6,13H,2,4,11H2,(H,14,15).
What are the key properties of 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid?
3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-hydroxybut-1-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 170476900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).