2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate

C13H9FN3O2- — CID 7329507

IUPAC2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate
SMILESO=C([O-])c1cccnc1N/N=C\c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2/c14-10-5-3-9(4-6-10)8-16-17-12-11(13(18)19)2-1-7-15-12/h1-8H,(H,15,17)(H,18,19)/p-1/b16-8-
InChIKeyPKGLCLSBRPWJCT-PXNMLYILSA-M
MW258.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate

2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate (PubChem CID 7329507) has the molecular formula C13H9FN3O2- and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate
PubChem CID7329507
Molecular FormulaC13H9FN3O2-
Molecular Weight258.23 g/mol
Exact Mass258.07
IUPAC Name2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate
SMILESO=C([O-])c1cccnc1N/N=C\c1ccc(F)cc1
InChIInChI=1S/C13H10FN3O2/c14-10-5-3-9(4-6-10)8-16-17-12-11(13(18)19)2-1-7-15-12/h1-8H,(H,15,17)(H,18,19)/p-1/b16-8-
InChIKeyPKGLCLSBRPWJCT-PXNMLYILSA-M
XLogP1.03
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.03
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

N-[(Z)-(4-fluorophenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126106016
N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-nitropyridin-2-amine
CID 126095785
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9076234
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
1-[(E)-(4-fluorophenyl)methylideneamino]-3-pyridin-2-ylsulfanylurea
CID 20845484
3-nitro-N-[(Z)-thiophen-3-ylmethylideneamino]pyridin-2-amine
CID 126111430
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-aminopyridine-3-carboxylate
CID 4116530
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate?
The IUPAC name of 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate (CID 7329507) is 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate?
The canonical SMILES for 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate is O=C([O-])c1cccnc1N/N=C\c1ccc(F)cc1.
What is the InChIKey of 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate?
The InChIKey is PKGLCLSBRPWJCT-PXNMLYILSA-M. The full InChI is InChI=1S/C13H10FN3O2/c14-10-5-3-9(4-6-10)8-16-17-12-11(13(18)19)2-1-7-15-12/h1-8H,(H,15,17)(H,18,19)/p-1/b16-8-.
What are the key properties of 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate?
2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate has a molecular weight of 258.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]pyridine-3-carboxylate is sourced from PubChem (CID 7329507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).