(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C9H11BrN2 — CID 51893478

IUPAC(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC[C@@H]1CNc2ncc(Br)cc2C1
InChIInChI=1S/C9H11BrN2/c1-6-2-7-3-8(10)5-12-9(7)11-4-6/h3,5-6H,2,4H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyWFNARPRWIPKUJB-LURJTMIESA-N
MW227.10 g/mol
LogP2.45
Rot. Bonds

About (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 51893478) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID51893478
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC[C@@H]1CNc2ncc(Br)cc2C1
InChIInChI=1S/C9H11BrN2/c1-6-2-7-3-8(10)5-12-9(7)11-4-6/h3,5-6H,2,4H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyWFNARPRWIPKUJB-LURJTMIESA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 51893478) is (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is C[C@@H]1CNc2ncc(Br)cc2C1.
What is the InChIKey of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is WFNARPRWIPKUJB-LURJTMIESA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6-2-7-3-8(10)5-12-9(7)11-4-6/h3,5-6H,2,4H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 227.10 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 51893478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).