3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine

C16H14BrN3 — CID 79535450

IUPAC3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C16H14BrN3/c17-15-8-13(18)10-20-16(15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9,18H2,(H,19,20)
InChIKeyCBGFIXHCIMKMEI-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.19
Rot. Bonds3

About 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine

3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine (PubChem CID 79535450) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
PubChem CID79535450
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine
SMILESNc1cnc(NCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C16H14BrN3/c17-15-8-13(18)10-20-16(15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9,18H2,(H,19,20)
InChIKeyCBGFIXHCIMKMEI-UHFFFAOYSA-N
XLogP4.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine (CID 79535450) is 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine is Nc1cnc(NCc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
The InChIKey is CBGFIXHCIMKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-15-8-13(18)10-20-16(15)19-9-12-6-3-5-11-4-1-2-7-14(11)12/h1-8,10H,9,18H2,(H,19,20).
What are the key properties of 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine?
3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine has a molecular weight of 328.21 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(naphthalen-1-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 79535450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).