(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C16H14BrNO — CID 115969934

IUPAC(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc2cc(Br)ccc2c1)N1CC=CCC1
InChIInChI=1S/C16H14BrNO/c17-15-7-6-12-10-14(5-4-13(12)11-15)16(19)18-8-2-1-3-9-18/h1-2,4-7,10-11H,3,8-9H2
InChIKeyDUBWJMIGORMFPP-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.00
Rot. Bonds1

About (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 115969934) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID115969934
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccc2cc(Br)ccc2c1)N1CC=CCC1
InChIInChI=1S/C16H14BrNO/c17-15-7-6-12-10-14(5-4-13(12)11-15)16(19)18-8-2-1-3-9-18/h1-2,4-7,10-11H,3,8-9H2
InChIKeyDUBWJMIGORMFPP-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
(4-amino-3-fluorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407102
1,3-benzodioxol-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 11776063
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(3-chlorophenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 141178418
3,6-dihydro-2H-pyridin-1-yl-(3-fluorophenyl)methanone
CID 141178396
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
CID 113356774
(6-bromonaphthalen-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 115354176

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 115969934) is (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccc2cc(Br)ccc2c1)N1CC=CCC1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is DUBWJMIGORMFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c17-15-7-6-12-10-14(5-4-13(12)11-15)16(19)18-8-2-1-3-9-18/h1-2,4-7,10-11H,3,8-9H2.
What are the key properties of (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 316.20 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 115969934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).