(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C15H12BrClN2O — CID 81307787

IUPAC(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrClN2O/c16-12-4-3-10(8-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2
InChIKeyIHBNMKSWROCSAN-UHFFFAOYSA-N
MW351.63 g/mol
LogP3.70
Rot. Bonds1

About (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 81307787) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID81307787
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1ccc(Br)c(Cl)c1)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrClN2O/c16-12-4-3-10(8-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2
InChIKeyIHBNMKSWROCSAN-UHFFFAOYSA-N
XLogP3.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(3,4-dichlorophenyl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191035
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-fluoro-3-methylphenyl)methanone
CID 63213138
(4-amino-3-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 63188563
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
7,8-dihydro-5H-1,6-naphthyridin-6-yl(1H-indazol-5-yl)methanone
CID 166197233
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(4-methyl-3-pyridin-2-ylphenyl)methanone
CID 70840492
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
7,8-dihydro-5H-1,6-naphthyridin-6-yl-(5-iodothiophen-3-yl)methanone
CID 79694045
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 115752999
(5-bromo-4-chloro-1H-benzimidazol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 177021891
1-(4-bromo-3-chlorobenzoyl)piperidin-4-one
CID 81295410

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 81307787) is (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1ccc(Br)c(Cl)c1)N1CCc2ncccc2C1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is IHBNMKSWROCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-12-4-3-10(8-13(12)17)15(20)19-7-5-14-11(9-19)2-1-6-18-14/h1-4,6,8H,5,7,9H2.
What are the key properties of (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 351.63 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 81307787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).