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

C14H16N4O3 — CID 79231223

IUPAC[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2cccc(NN)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-6-10(2)14(12(7-9)18(19)20)21-8-11-4-3-5-13(16-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyNBGDTRJRODVQQS-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.47
Rot. Bonds5

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

[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79231223) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID79231223
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(C)c(OCc2cccc(NN)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-9-6-10(2)14(12(7-9)18(19)20)21-8-11-4-3-5-13(16-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyNBGDTRJRODVQQS-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

[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
[4-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
[6-[(4-methoxy-2-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79233113
6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 79841922
[5-[(2,4-dimethyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614104
4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 62464439
[6-[(3-bromo-5-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103589474
[6-[(4-chloro-3,5-dimethylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232634
[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231511
[6-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103290222
[6-[(4-tert-butyl-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79232587
2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
CID 60727704

Frequently Asked Questions

What is the IUPAC name of [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 79231223) is [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(C)c(OCc2cccc(NN)n2)c([N+](=O)[O-])c1.
What is the InChIKey of [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is NBGDTRJRODVQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-6-10(2)14(12(7-9)18(19)20)21-8-11-4-3-5-13(16-11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(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 [6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79231223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).