[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C14H16N4O3 — CID 62465352

IUPAC[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2ccnc(NN)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-5-10(2)14(12(6-9)18(19)20)21-8-11-3-4-16-13(7-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyVGCBBUIQDGARKF-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.47
Rot. Bonds5

About [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62465352) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62465352
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2ccnc(NN)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-5-10(2)14(12(6-9)18(19)20)21-8-11-3-4-16-13(7-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyVGCBBUIQDGARKF-UHFFFAOYSA-N
XLogP2.47
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 62464439
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
[4-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62466110
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
CID 60727704
[5-[(2,4-dimethyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614104
[4-[(2,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62464137
1-[(2-hydrazinyl-4-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355238
1-methyl-3,5-dinitro-2-[(4-nitrophenyl)methoxy]benzene
CID 165364462
5-bromo-2-[(3-bromo-4-fluorophenyl)methoxy]-1-methyl-3-nitrobenzene
CID 79844534
[4-[(2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]hydrazine
CID 62464313
[4-(phenoxymethyl)-2-pyridinyl]hydrazine
CID 62465905

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 62465352) is [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(C)c(OCc2ccnc(NN)c2)c([N+](=O)[O-])c1.
What is the InChIKey of [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is VGCBBUIQDGARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-5-10(2)14(12(6-9)18(19)20)21-8-11-3-4-16-13(7-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62465352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).