6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid

C20H17N3O3 — CID 110505721

IUPAC6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N/N=C/c2ccccc2COc2ccccc2)nc1
InChIInChI=1S/C20H17N3O3/c24-20(25)16-10-11-19(21-12-16)23-22-13-15-6-4-5-7-17(15)14-26-18-8-2-1-3-9-18/h1-13H,14H2,(H,21,23)(H,24,25)/b22-13+
InChIKeyDGXDUWNOILHQOO-LPYMAVHISA-N
MW347.37 g/mol
LogP3.80
Rot. Bonds7

About 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid

6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid (PubChem CID 110505721) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
PubChem CID110505721
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N/N=C/c2ccccc2COc2ccccc2)nc1
InChIInChI=1S/C20H17N3O3/c24-20(25)16-10-11-19(21-12-16)23-22-13-15-6-4-5-7-17(15)14-26-18-8-2-1-3-9-18/h1-13H,14H2,(H,21,23)(H,24,25)/b22-13+
InChIKeyDGXDUWNOILHQOO-LPYMAVHISA-N
XLogP3.80
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
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-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110507196
4-methyl-N-[(Z)-[2-(phenoxymethyl)phenyl]methylideneamino]benzamide
CID 110509126
6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505715
6-[(2E)-2-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505702
N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]pentanamide
CID 110506844
ethane;3-[6-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3-pyridinyl]benzoic acid
CID 143178920
3-[[4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 3658608
4-[1-[2-(phenoxymethyl)phenyl]ethenyl]benzoic acid
CID 22400872
N-[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126109789
2-[[2-(phenoxymethyl)phenyl]methylideneamino]guanidine
CID 168591467
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126124508
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid (CID 110505721) is 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N/N=C/c2ccccc2COc2ccccc2)nc1.
What is the InChIKey of 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The InChIKey is DGXDUWNOILHQOO-LPYMAVHISA-N. The full InChI is InChI=1S/C20H17N3O3/c24-20(25)16-10-11-19(21-12-16)23-22-13-15-6-4-5-7-17(15)14-26-18-8-2-1-3-9-18/h1-13H,14H2,(H,21,23)(H,24,25)/b22-13+.
What are the key properties of 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid has a molecular weight of 347.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110505721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).