6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride

C8H8BrClN2O — CID 155892914

IUPAC6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C8H7BrN2O.ClH/c9-6-3-5-1-2-7(12)11-8(5)10-4-6;/h3-4H,1-2H2,(H,10,11,12);1H
InChIKeyCYRHWJHHKLDNHW-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.15
Rot. Bonds

About 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride

6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride (PubChem CID 155892914) has the molecular formula C8H8BrClN2O and a molecular weight of 263.52 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
PubChem CID155892914
Molecular FormulaC8H8BrClN2O
Molecular Weight263.52 g/mol
Exact Mass261.95
IUPAC Name6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.O=C1CCc2cc(Br)cnc2N1
InChIInChI=1S/C8H7BrN2O.ClH/c9-6-3-5-1-2-7(12)11-8(5)10-4-6;/h3-4H,1-2H2,(H,10,11,12);1H
InChIKeyCYRHWJHHKLDNHW-UHFFFAOYSA-N
XLogP2.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride?
The IUPAC name of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride (CID 155892914) is 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride is Cl.O=C1CCc2cc(Br)cnc2N1.
What is the InChIKey of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride?
The InChIKey is CYRHWJHHKLDNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O.ClH/c9-6-3-5-1-2-7(12)11-8(5)10-4-6;/h3-4H,1-2H2,(H,10,11,12);1H.
What are the key properties of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride?
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride has a molecular weight of 263.52 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 155892914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).