(3-methyl-2-nitrophenyl)methylhydrazine

C8H11N3O2 — CID 53402772

IUPAC(3-methyl-2-nitrophenyl)methylhydrazine
SMILESCc1cccc(CNN)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O2/c1-6-3-2-4-7(5-10-9)8(6)11(12)13/h2-4,10H,5,9H2,1H3
InChIKeyUBHDAFVHYGKVMU-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.87
Rot. Bonds3

About (3-methyl-2-nitrophenyl)methylhydrazine

(3-methyl-2-nitrophenyl)methylhydrazine (PubChem CID 53402772) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is (3-methyl-2-nitrophenyl)methylhydrazine.

Molecular Properties

Compound Name(3-methyl-2-nitrophenyl)methylhydrazine
PubChem CID53402772
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name(3-methyl-2-nitrophenyl)methylhydrazine
SMILESCc1cccc(CNN)c1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O2/c1-6-3-2-4-7(5-10-9)8(6)11(12)13/h2-4,10H,5,9H2,1H3
InChIKeyUBHDAFVHYGKVMU-UHFFFAOYSA-N
XLogP0.87
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3-methyl-2-nitrophenyl)methyl carbonochloridate
CID 87481988
(3-methyl-2-nitrophenyl)methyl carbonobromidate
CID 90976440
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(2-methylphenyl)methylhydrazine;hydrochloride
CID 42940672
N-[(3-methyl-2-nitrophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 58885086
1-O-ethyl 10-O-[(3-methyl-2-nitrophenyl)methyl] decanedioate
CID 91720215
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CID 159821391
dimethyl-[(3-methyl-2-nitrophenyl)methoxy]-(2,3,4,5,6-pentafluorophenyl)silane
CID 91720878
ethyl 2-[(3-methyl-2-nitrophenyl)methyl]-3-oxobutanoate
CID 142730406
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
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CID 3916406

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-nitrophenyl)methylhydrazine?
The IUPAC name of (3-methyl-2-nitrophenyl)methylhydrazine (CID 53402772) is (3-methyl-2-nitrophenyl)methylhydrazine.
What is the SMILES notation for (3-methyl-2-nitrophenyl)methylhydrazine?
The canonical SMILES for (3-methyl-2-nitrophenyl)methylhydrazine is Cc1cccc(CNN)c1[N+](=O)[O-].
What is the InChIKey of (3-methyl-2-nitrophenyl)methylhydrazine?
The InChIKey is UBHDAFVHYGKVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-3-2-4-7(5-10-9)8(6)11(12)13/h2-4,10H,5,9H2,1H3.
What are the key properties of (3-methyl-2-nitrophenyl)methylhydrazine?
(3-methyl-2-nitrophenyl)methylhydrazine has a molecular weight of 181.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-nitrophenyl)methylhydrazine is sourced from PubChem (CID 53402772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).