[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

C13H13ClN4O3 — CID 62886125

IUPAC[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2nc(NN)ccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H13ClN4O3/c1-8-6-9(2-4-12(8)18(19)20)21-7-11-10(14)3-5-13(16-11)17-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyQFPWIKTVUNOBEH-UHFFFAOYSA-N
MW308.73 g/mol
LogP2.82
Rot. Bonds5

About [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62886125) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62886125
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1cc(OCc2nc(NN)ccc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H13ClN4O3/c1-8-6-9(2-4-12(8)18(19)20)21-7-11-10(14)3-5-13(16-11)17-15/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeyQFPWIKTVUNOBEH-UHFFFAOYSA-N
XLogP2.82
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.82
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-[(4-chlorophenyl)methoxy]-2-methyl-1-nitrobenzene
CID 134116888
[4-[(4-chloro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62246559
[6-[(4-butylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 115493212
[5-chloro-6-(methoxymethyl)-2-pyridinyl]hydrazine
CID 62884913
4-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973511
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
5-[(3-methyl-4-nitrophenoxy)methyl]pyrazin-2-amine
CID 103057914
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-5-nitropyrimidine-2,4-dione
CID 63799778
N-ethyl-3-(3-methyl-4-nitrophenoxy)propan-1-amine
CID 29015276
2-methyl-1-nitro-4-prop-2-enoxybenzene
CID 14239229

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine (CID 62886125) is [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is Cc1cc(OCc2nc(NN)ccc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is QFPWIKTVUNOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-8-6-9(2-4-12(8)18(19)20)21-7-11-10(14)3-5-13(16-11)17-15/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 308.73 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(3-methyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62886125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).