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

C15H12BrFN2O — CID 115752999

IUPAC(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrFN2O/c16-11-4-1-5-12(17)14(11)15(20)19-8-6-13-10(9-19)3-2-7-18-13/h1-5,7H,6,8-9H2
InChIKeyQYHIVMKQBWUNSJ-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.18
Rot. Bonds1

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

(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 115752999) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID115752999
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCc2ncccc2C1
InChIInChI=1S/C15H12BrFN2O/c16-11-4-1-5-12(17)14(11)15(20)19-8-6-13-10(9-19)3-2-7-18-13/h1-5,7H,6,8-9H2
InChIKeyQYHIVMKQBWUNSJ-UHFFFAOYSA-N
XLogP3.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dihydro-5H-1,6-naphthyridin-6-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323469
(2,6-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 890837
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
(4-bromo-3-chlorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 81307787
(2-chloro-3-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053366
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-pyridinyl)methanone
CID 110474832
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
[4-(aminomethyl)phenyl]-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60861567
(5-bromo-2-iodophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 103830275
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60956009

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 115752999) is (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is O=C(c1c(F)cccc1Br)N1CCc2ncccc2C1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is QYHIVMKQBWUNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c16-11-4-1-5-12(17)14(11)15(20)19-8-6-13-10(9-19)3-2-7-18-13/h1-5,7H,6,8-9H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 335.18 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 115752999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).