6-(2-carboxyethenyl)pyridine-2-carboxylic acid

C9H7NO4 — CID 169460531

IUPAC6-(2-carboxyethenyl)pyridine-2-carboxylic acid
SMILESO=C(O)C=Cc1cccc(C(=O)O)n1
InChIInChI=1S/C9H7NO4/c11-8(12)5-4-6-2-1-3-7(10-6)9(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKeyLYLNQOCZSFTSOA-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.88
Rot. Bonds3

About 6-(2-carboxyethenyl)pyridine-2-carboxylic acid

6-(2-carboxyethenyl)pyridine-2-carboxylic acid (PubChem CID 169460531) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-(2-carboxyethenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-carboxyethenyl)pyridine-2-carboxylic acid
PubChem CID169460531
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-(2-carboxyethenyl)pyridine-2-carboxylic acid
SMILESO=C(O)C=Cc1cccc(C(=O)O)n1
InChIInChI=1S/C9H7NO4/c11-8(12)5-4-6-2-1-3-7(10-6)9(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKeyLYLNQOCZSFTSOA-UHFFFAOYSA-N
XLogP0.88
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(3-amino-3-oxoprop-1-enyl)pyridine-2-carboxylic acid
CID 169481846
6-(4-aminobut-1-enyl)pyridine-2-carboxylic acid
CID 170487016
6-(4-chlorobut-1-enyl)pyridine-2-carboxylic acid
CID 170499212
(E)-3-[6-(sulfamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 114959594
CID 91986542
CID 91986542
3-[6-(3-ethoxy-3-oxoprop-1-enyl)-2-pyridinyl]prop-2-enoic acid
CID 67083970
3-[6-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 76906299
3-[6-(difluoromethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 54971386
3-[6-(dimethylcarbamoylamino)-2-pyridinyl]prop-2-enoic acid
CID 79153991
ethyl 3-(6-carbamoyl-2-pyridinyl)prop-2-enoate
CID 169480330
methyl 3-(6-acetyl-2-pyridinyl)prop-2-enoate
CID 169479066
6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
CID 177483783

Frequently Asked Questions

What is the IUPAC name of 6-(2-carboxyethenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-carboxyethenyl)pyridine-2-carboxylic acid (CID 169460531) is 6-(2-carboxyethenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-carboxyethenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-carboxyethenyl)pyridine-2-carboxylic acid is O=C(O)C=Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-carboxyethenyl)pyridine-2-carboxylic acid?
The InChIKey is LYLNQOCZSFTSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c11-8(12)5-4-6-2-1-3-7(10-6)9(13)14/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 6-(2-carboxyethenyl)pyridine-2-carboxylic acid?
6-(2-carboxyethenyl)pyridine-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carboxyethenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 169460531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).