4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine

C12H13ClFN5O — CID 126678882

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2c(F)cccc2Cl)c1N
InChIInChI=1S/C12H13ClFN5O/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)18-12(19-17)11(9)16/h1-4H,5,16-17H2,(H3,15,18,19)
InChIKeyMOZKJNPZZCLCCL-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.90
Rot. Bonds4

About 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine

4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (PubChem CID 126678882) has the molecular formula C12H13ClFN5O and a molecular weight of 297.72 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
PubChem CID126678882
Molecular FormulaC12H13ClFN5O
Molecular Weight297.72 g/mol
Exact Mass297.08
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine
SMILESNNc1nc(N)cc(OCc2c(F)cccc2Cl)c1N
InChIInChI=1S/C12H13ClFN5O/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)18-12(19-17)11(9)16/h1-4H,5,16-17H2,(H3,15,18,19)
InChIKeyMOZKJNPZZCLCCL-UHFFFAOYSA-N
XLogP1.90
TPSA112.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine (CID 126678882) is 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is NNc1nc(N)cc(OCc2c(F)cccc2Cl)c1N.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
The InChIKey is MOZKJNPZZCLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5O/c13-7-2-1-3-8(14)6(7)5-20-9-4-10(15)18-12(19-17)11(9)16/h1-4H,5,16-17H2,(H3,15,18,19).
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine?
4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine has a molecular weight of 297.72 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-6-fluorophenyl)methoxy]-6-hydrazinylpyridine-2,5-diamine is sourced from PubChem (CID 126678882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).