2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine

C16H16BrNO — CID 18960980

IUPAC2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine
SMILESCOC1(c2ccccn2)CCCc2ccc(Br)cc21
InChIInChI=1S/C16H16BrNO/c1-19-16(15-6-2-3-10-18-15)9-4-5-12-7-8-13(17)11-14(12)16/h2-3,6-8,10-11H,4-5,9H2,1H3
InChIKeyBZOCAVTYXFZRJD-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.07
Rot. Bonds2

About 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine

2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine (PubChem CID 18960980) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine.

Molecular Properties

Compound Name2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine
PubChem CID18960980
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine
SMILESCOC1(c2ccccn2)CCCc2ccc(Br)cc21
InChIInChI=1S/C16H16BrNO/c1-19-16(15-6-2-3-10-18-15)9-4-5-12-7-8-13(17)11-14(12)16/h2-3,6-8,10-11H,4-5,9H2,1H3
InChIKeyBZOCAVTYXFZRJD-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
6-bromo-5'-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-imidazole]-4'-amine
CID 57386415
1-(3-methoxypyrazin-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 104514437
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
(7-fluoro-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl) 2-methylprop-2-enoate
CID 89475205
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
(1R)-1-[(S)-phenyl(pyridin-2-yl)methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 95559383
(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657
17'-bromo-3,6-dimethyl-2-methylsulfanylspiro[1λ3-ioda-3-azacyclohexene-5,2'-tricyclo[12.4.0.05,10]octadeca-1(14),5,7,9,15,17-hexaene]-4-one
CID 163454523

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine?
The IUPAC name of 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine (CID 18960980) is 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine.
What is the SMILES notation for 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine?
The canonical SMILES for 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine is COC1(c2ccccn2)CCCc2ccc(Br)cc21.
What is the InChIKey of 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine?
The InChIKey is BZOCAVTYXFZRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-19-16(15-6-2-3-10-18-15)9-4-5-12-7-8-13(17)11-14(12)16/h2-3,6-8,10-11H,4-5,9H2,1H3.
What are the key properties of 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine?
2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine has a molecular weight of 318.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)pyridine is sourced from PubChem (CID 18960980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).