6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid

C10H12N2O2 — CID 170487016

IUPAC6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid
SMILESNCCC=Cc1cccc(C(=O)O)n1
InChIInChI=1S/C10H12N2O2/c11-7-2-1-4-8-5-3-6-9(12-8)10(13)14/h1,3-6H,2,7,11H2,(H,13,14)
InChIKeyCESITFWMPXWMRL-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds4

About 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid

6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid (PubChem CID 170487016) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid
PubChem CID170487016
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid
SMILESNCCC=Cc1cccc(C(=O)O)n1
InChIInChI=1S/C10H12N2O2/c11-7-2-1-4-8-5-3-6-9(12-8)10(13)14/h1,3-6H,2,7,11H2,(H,13,14)
InChIKeyCESITFWMPXWMRL-UHFFFAOYSA-N
XLogP1.14
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid (CID 170487016) is 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid is NCCC=Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid?
The InChIKey is CESITFWMPXWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-7-2-1-4-8-5-3-6-9(12-8)10(13)14/h1,3-6H,2,7,11H2,(H,13,14).
What are the key properties of 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid?
6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 170487016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).