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

C14H16ClN3O — CID 105219005

IUPAC[(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cccc(C)n2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-4-3-5-12(17-9)14(18-16)10-6-7-11(15)13(8-10)19-2/h3-8,14,18H,16H2,1-2H3
InChIKeyLQMIFXILTAWIBE-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.60
Rot. Bonds4

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

[(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine (PubChem CID 105219005) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
PubChem CID105219005
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name[(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
SMILESCOc1cc(C(NN)c2cccc(C)n2)ccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9-4-3-5-12(17-9)14(18-16)10-6-7-11(15)13(8-10)19-2/h3-8,14,18H,16H2,1-2H3
InChIKeyLQMIFXILTAWIBE-UHFFFAOYSA-N
XLogP2.60
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine (CID 105219005) is [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine is COc1cc(C(NN)c2cccc(C)n2)ccc1Cl.
What is the InChIKey of [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine?
The InChIKey is LQMIFXILTAWIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-4-3-5-12(17-9)14(18-16)10-6-7-11(15)13(8-10)19-2/h3-8,14,18H,16H2,1-2H3.
What are the key properties of [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine?
[(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine has a molecular weight of 277.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-3-methoxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105219005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).