[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine

C16H14BrN3O — CID 79232593

IUPAC[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H14BrN3O/c17-13-6-4-12-9-15(7-5-11(12)8-13)21-10-14-2-1-3-16(19-14)20-18/h1-9H,10,18H2,(H,19,20)
InChIKeySPMVAKFNQQILPD-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.86
Rot. Bonds4

About [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine

[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine (PubChem CID 79232593) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
PubChem CID79232593
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H14BrN3O/c17-13-6-4-12-9-15(7-5-11(12)8-13)21-10-14-2-1-3-16(19-14)20-18/h1-9H,10,18H2,(H,19,20)
InChIKeySPMVAKFNQQILPD-UHFFFAOYSA-N
XLogP3.86
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.86
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 [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine (CID 79232593) is [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine is NNc1cccc(COc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine?
The InChIKey is SPMVAKFNQQILPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-13-6-4-12-9-15(7-5-11(12)8-13)21-10-14-2-1-3-16(19-14)20-18/h1-9H,10,18H2,(H,19,20).
What are the key properties of [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine?
[6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine has a molecular weight of 344.21 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-bromonaphthalen-2-yl)oxymethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79232593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).