2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid

C9H11N3O2 — CID 165352086

IUPAC2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
SMILESC/C(=N\NCC(=O)O)c1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-11-6-9(13)14)8-4-2-3-5-10-8/h2-5,11H,6H2,1H3,(H,13,14)/b12-7+
InChIKeyIROMJLIUNMLAGB-KPKJPENVSA-N
MW193.21 g/mol
LogP0.48
Rot. Bonds4

About 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid

2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid (PubChem CID 165352086) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid.

Molecular Properties

Compound Name2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
PubChem CID165352086
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
SMILESC/C(=N\NCC(=O)O)c1ccccn1
InChIInChI=1S/C9H11N3O2/c1-7(12-11-6-9(13)14)8-4-2-3-5-10-8/h2-5,11H,6H2,1H3,(H,13,14)/b12-7+
InChIKeyIROMJLIUNMLAGB-KPKJPENVSA-N
XLogP0.48
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

ethyl 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetate
CID 177496938
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
(2E)-2-hydroxyimino-N-[(E)-1-pyridin-2-ylethylideneamino]propanamide
CID 139074285
2-(pyridine-2-carbonylamino)acetic acid;thiophene
CID 66951625
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
(1-pyridin-2-ylethylideneamino)carbamodithioic acid
CID 71331582
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid?
The IUPAC name of 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid (CID 165352086) is 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid.
What is the SMILES notation for 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid?
The canonical SMILES for 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid is C/C(=N\NCC(=O)O)c1ccccn1.
What is the InChIKey of 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid?
The InChIKey is IROMJLIUNMLAGB-KPKJPENVSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-7(12-11-6-9(13)14)8-4-2-3-5-10-8/h2-5,11H,6H2,1H3,(H,13,14)/b12-7+.
What are the key properties of 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid?
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid has a molecular weight of 193.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid is sourced from PubChem (CID 165352086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).