6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine

C15H11BrN2O — CID 54910912

IUPAC6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
SMILESNc1ccc(Oc2ccc3ccccc3c2Br)nc1
InChIInChI=1S/C15H11BrN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)19-14-8-6-11(17)9-18-14/h1-9H,17H2
InChIKeySOWQEBFXUKMQIK-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.37
Rot. Bonds2

About 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine

6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine (PubChem CID 54910912) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine.

Molecular Properties

Compound Name6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
PubChem CID54910912
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine
SMILESNc1ccc(Oc2ccc3ccccc3c2Br)nc1
InChIInChI=1S/C15H11BrN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)19-14-8-6-11(17)9-18-14/h1-9H,17H2
InChIKeySOWQEBFXUKMQIK-UHFFFAOYSA-N
XLogP4.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine?
The IUPAC name of 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine (CID 54910912) is 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine.
What is the SMILES notation for 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine?
The canonical SMILES for 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine is Nc1ccc(Oc2ccc3ccccc3c2Br)nc1.
What is the InChIKey of 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine?
The InChIKey is SOWQEBFXUKMQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-15-12-4-2-1-3-10(12)5-7-13(15)19-14-8-6-11(17)9-18-14/h1-9H,17H2.
What are the key properties of 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine?
6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine has a molecular weight of 315.17 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bromonaphthalen-2-yl)oxypyridin-3-amine is sourced from PubChem (CID 54910912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).