4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate

C14H12N3O2- — CID 7744968

IUPAC4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C14H13N3O2/c1-10(13-4-2-3-9-15-13)16-17-12-7-5-11(6-8-12)14(18)19/h2-9,17H,1H3,(H,18,19)/p-1/b16-10-
InChIKeyPXPMTLOPTFVWHH-YBEGLDIGSA-M
MW254.27 g/mol
LogP1.28
Rot. Bonds4

About 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate

4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate (PubChem CID 7744968) has the molecular formula C14H12N3O2- and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Name4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
PubChem CID7744968
Molecular FormulaC14H12N3O2-
Molecular Weight254.27 g/mol
Exact Mass254.09
IUPAC Name4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
SMILESC/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccn1
InChIInChI=1S/C14H13N3O2/c1-10(13-4-2-3-9-15-13)16-17-12-7-5-11(6-8-12)14(18)19/h2-9,17H,1H3,(H,18,19)/p-1/b16-10-
InChIKeyPXPMTLOPTFVWHH-YBEGLDIGSA-M
XLogP1.28
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
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

4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6256280
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
CID 7350198
4-[(2Z)-2-[1-(2-ethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 9012884
4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
CID 8973589
4-[(2E)-2-[1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylidene]hydrazinyl]benzoate
CID 135734520
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
4-[2-[cyano(pyridin-2-yl)methylidene]hydrazinyl]benzoic acid
CID 4092858
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate?
The IUPAC name of 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate (CID 7744968) is 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate.
What is the SMILES notation for 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate?
The canonical SMILES for 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate is C/C(=N/Nc1ccc(C(=O)[O-])cc1)c1ccccn1.
What is the InChIKey of 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate?
The InChIKey is PXPMTLOPTFVWHH-YBEGLDIGSA-M. The full InChI is InChI=1S/C14H13N3O2/c1-10(13-4-2-3-9-15-13)16-17-12-7-5-11(6-8-12)14(18)19/h2-9,17H,1H3,(H,18,19)/p-1/b16-10-.
What are the key properties of 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate?
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate has a molecular weight of 254.27 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate is sourced from PubChem (CID 7744968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).