9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine

C12H11BrN2 — CID 115007227

IUPAC9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine
SMILESBrc1cccc2cc3c(nc12)CNCC3
InChIInChI=1S/C12H11BrN2/c13-10-3-1-2-9-6-8-4-5-14-7-11(8)15-12(9)10/h1-3,6,14H,4-5,7H2
InChIKeyWBFIWGZNQJOGFL-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.64
Rot. Bonds

About 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine

9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine (PubChem CID 115007227) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine.

Molecular Properties

Compound Name9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine
PubChem CID115007227
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine
SMILESBrc1cccc2cc3c(nc12)CNCC3
InChIInChI=1S/C12H11BrN2/c13-10-3-1-2-9-6-8-4-5-14-7-11(8)15-12(9)10/h1-3,6,14H,4-5,7H2
InChIKeyWBFIWGZNQJOGFL-UHFFFAOYSA-N
XLogP2.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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8-bromo-2,3-dimethylquinoline
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5-bromoacridine-4-carboxamide
CID 174361134
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CID 175297331
1,2,3,4-tetrahydropyrido[3,4-b]acridine
CID 87973944
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
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1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
CID 131872662
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CID 92561735

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine?
The IUPAC name of 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine (CID 115007227) is 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine.
What is the SMILES notation for 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine?
The canonical SMILES for 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine is Brc1cccc2cc3c(nc12)CNCC3.
What is the InChIKey of 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine?
The InChIKey is WBFIWGZNQJOGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-10-3-1-2-9-6-8-4-5-14-7-11(8)15-12(9)10/h1-3,6,14H,4-5,7H2.
What are the key properties of 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine?
9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine has a molecular weight of 263.14 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,2,3,4-tetrahydrobenzo[b][1,7]naphthyridine is sourced from PubChem (CID 115007227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).