1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

C18H16BrNO — CID 115354635

IUPAC1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c1-12-3-2-8-20-17(12)11-18(21)15-5-4-14-10-16(19)7-6-13(14)9-15/h2-10,18,21H,11H2,1H3
InChIKeyXZFWAIXJVNBWFC-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.58
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol

1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (PubChem CID 115354635) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
PubChem CID115354635
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
SMILESCc1cccnc1CC(O)c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C18H16BrNO/c1-12-3-2-8-20-17(12)11-18(21)15-5-4-14-10-16(19)7-6-13(14)9-15/h2-10,18,21H,11H2,1H3
InChIKeyXZFWAIXJVNBWFC-UHFFFAOYSA-N
XLogP4.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461704
1-(3-bromo-4-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66461101
1-(3-bromo-5-chlorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020682
2-(2-bromo-2-naphthalen-2-ylethyl)-3-methylpyridine
CID 66453767
1-(6-bromonaphthalen-2-yl)-2-(4-fluorophenyl)ethanol
CID 115354460
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
1-(3-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114020683
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(4-bromo-2-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446075
1-[5-bromo-2-[(3-methyl-2-pyridinyl)methoxy]phenyl]ethanol
CID 112650650
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
2-[(4-bromophenyl)sulfanylmethyl]-3-methylpyridine;hydrochloride
CID 13058717

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol (CID 115354635) is 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is Cc1cccnc1CC(O)c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
The InChIKey is XZFWAIXJVNBWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c1-12-3-2-8-20-17(12)11-18(21)15-5-4-14-10-16(19)7-6-13(14)9-15/h2-10,18,21H,11H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol?
1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol has a molecular weight of 342.24 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 115354635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).