[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C14H16N4O3 — CID 63184291

IUPAC[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCc1cccnc1NN
InChIInChI=1S/C14H16N4O3/c1-9-7-13(10(2)6-12(9)18(19)20)21-8-11-4-3-5-16-14(11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyUVCMLZHWFIMWSL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.47
Rot. Bonds5

About [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 63184291) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID63184291
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc([N+](=O)[O-])c(C)cc1OCc1cccnc1NN
InChIInChI=1S/C14H16N4O3/c1-9-7-13(10(2)6-12(9)18(19)20)21-8-11-4-3-5-16-14(11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyUVCMLZHWFIMWSL-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'}

Analyze [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
1-[(2-hydrazinyl-3-pyridinyl)methyl]-4-methyl-5-nitropyridin-2-one
CID 79355556
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
CID 62466385
[5-[(2,5-dimethyl-4-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614117
N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466380
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
2-chloro-6-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine
CID 79243325
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634
3-[(2,5-dimethyl-4-nitrophenoxy)methyl]thiophene-2-carboxylic acid
CID 63640875
2-bromo-5-[(2,5-dimethyl-4-nitrophenoxy)methyl]thiophene
CID 55192236
1-chloro-4,5-dimethyl-2-[(2-nitrophenyl)methoxy]benzene
CID 118967411

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 63184291) is [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc([N+](=O)[O-])c(C)cc1OCc1cccnc1NN.
What is the InChIKey of [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is UVCMLZHWFIMWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-7-13(10(2)6-12(9)18(19)20)21-8-11-4-3-5-16-14(11)17-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[3-[(2,5-dimethyl-4-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 [3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 63184291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).