6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid

C11H13N3O3 — CID 82116544

IUPAC6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=CN1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C11H13N3O3/c15-8-13-3-5-14(6-4-13)10-2-1-9(7-12-10)11(16)17/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyGRRJBDVTGWTRJM-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.06
Rot. Bonds3

About 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid

6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 82116544) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID82116544
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=CN1CCN(c2ccc(C(=O)O)cn2)CC1
InChIInChI=1S/C11H13N3O3/c15-8-13-3-5-14(6-4-13)10-2-1-9(7-12-10)11(16)17/h1-2,7-8H,3-6H2,(H,16,17)
InChIKeyGRRJBDVTGWTRJM-UHFFFAOYSA-N
XLogP0.06
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
6-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83967781
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154974
6-[4-(2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971614
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
6-[4-(4-bromobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971605
6-(3,3-difluoroazetidin-1-yl)pyridine-3-carboxylic acid
CID 121200824

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 82116544) is 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid is O=CN1CCN(c2ccc(C(=O)O)cn2)CC1.
What is the InChIKey of 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is GRRJBDVTGWTRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-8-13-3-5-14(6-4-13)10-2-1-9(7-12-10)11(16)17/h1-2,7-8H,3-6H2,(H,16,17).
What are the key properties of 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82116544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).