(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C15H12BrIN2O — CID 103830275

IUPAC(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Br)ccc1I)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrIN2O/c16-11-3-4-13(17)12(8-11)15(20)19-7-5-14-10(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2
InChIKeyOFIYWUMBOKEPFW-UHFFFAOYSA-N
MW443.08 g/mol
LogP3.65
Rot. Bonds1

About (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 103830275) has the molecular formula C15H12BrIN2O and a molecular weight of 443.08 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID103830275
Molecular FormulaC15H12BrIN2O
Molecular Weight443.08 g/mol
Exact Mass441.92
IUPAC Name(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1cc(Br)ccc1I)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrIN2O/c16-11-3-4-13(17)12(8-11)15(20)19-7-5-14-10(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2
InChIKeyOFIYWUMBOKEPFW-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.08
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-iodophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 113232778
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
(5-bromo-2-chlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191013
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60956009
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 103830275) is (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1cc(Br)ccc1I)N1CCc2ncccc2C1.
What is the InChIKey of (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is OFIYWUMBOKEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrIN2O/c16-11-3-4-13(17)12(8-11)15(20)19-7-5-14-10(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2.
What are the key properties of (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 443.08 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 103830275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).