2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid

C11H11N3O5 — CID 3951053

IUPAC2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
SMILESO=C(O)CCC(=NNC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C11H11N3O5/c15-9(16)5-4-8(11(18)19)13-14-10(17)7-3-1-2-6-12-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyCTAHYOHYIPRBHR-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.12
Rot. Bonds6

About 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid

2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid (PubChem CID 3951053) has the molecular formula C11H11N3O5 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid.

Molecular Properties

Compound Name2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
PubChem CID3951053
Molecular FormulaC11H11N3O5
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid
SMILESO=C(O)CCC(=NNC(=O)c1ccccn1)C(=O)O
InChIInChI=1S/C11H11N3O5/c15-9(16)5-4-8(11(18)19)13-14-10(17)7-3-1-2-6-12-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyCTAHYOHYIPRBHR-UHFFFAOYSA-N
XLogP0.12
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
(2E)-2-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]pentanedioic acid
CID 7789595
2-(pyridine-2-carbonylamino)prop-2-enoic acid
CID 11095447
6-(pyridine-2-carbonylamino)hexanoic acid
CID 16792895
N-[(Z)-[(2R)-2-phenylbutylidene]amino]pyridine-2-carboxamide
CID 40537943
6-[(dipyridin-2-ylmethylideneamino)carbamoyl]pyridine-2-carboxylic acid
CID 102349803
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-[[4-(cyclopentylamino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 3108542
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid?
The IUPAC name of 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid (CID 3951053) is 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid.
What is the SMILES notation for 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid?
The canonical SMILES for 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid is O=C(O)CCC(=NNC(=O)c1ccccn1)C(=O)O.
What is the InChIKey of 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid?
The InChIKey is CTAHYOHYIPRBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c15-9(16)5-4-8(11(18)19)13-14-10(17)7-3-1-2-6-12-7/h1-3,6H,4-5H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid?
2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid has a molecular weight of 265.22 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-2-carbonylhydrazinylidene)pentanedioic acid is sourced from PubChem (CID 3951053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).