5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine

C16H13BrN2 — CID 975433

IUPAC5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCc2cccc3ccccc23)nc1
InChIInChI=1S/C16H13BrN2/c17-14-8-9-16(19-11-14)18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,18,19)
InChIKeyXUQGIGWQBOYFKO-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds3

About 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine

5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine (PubChem CID 975433) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
PubChem CID975433
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCc2cccc3ccccc23)nc1
InChIInChI=1S/C16H13BrN2/c17-14-8-9-16(19-11-14)18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,18,19)
InChIKeyXUQGIGWQBOYFKO-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine (CID 975433) is 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine is Brc1ccc(NCc2cccc3ccccc23)nc1.
What is the InChIKey of 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
The InChIKey is XUQGIGWQBOYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-14-8-9-16(19-11-14)18-10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H,18,19).
What are the key properties of 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine?
5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine has a molecular weight of 313.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(naphthalen-1-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).