6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C16H15Br2NO — CID 104801675

IUPAC6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Br)cn2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H15Br2NO/c17-13-2-1-12-8-16(20,6-5-11(12)7-13)9-15-4-3-14(18)10-19-15/h1-4,7,10,20H,5-6,8-9H2
InChIKeyHMOOZYMCPMFBED-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.07
Rot. Bonds2

About 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 104801675) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID104801675
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESOC1(Cc2ccc(Br)cn2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C16H15Br2NO/c17-13-2-1-12-8-16(20,6-5-11(12)7-13)9-15-4-3-14(18)10-19-15/h1-4,7,10,20H,5-6,8-9H2
InChIKeyHMOOZYMCPMFBED-UHFFFAOYSA-N
XLogP4.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[(3,5-dimethylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63632383
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059
6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63630973
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
6-bromo-2-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65145586
4-[(5-bromo-2-pyridinyl)methyl]oxepan-4-ol
CID 104802124
6-bromo-2-(propoxymethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 79567932
6-bromo-2-(2-methylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 65146063
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
4-[(5-bromo-2-pyridinyl)methyl]-2-methyloxan-4-ol
CID 104802016
1-[(5-bromo-2-pyridinyl)methyl]-2-oxocyclohexane-1-carboxylic acid
CID 103574974

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 104801675) is 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is OC1(Cc2ccc(Br)cn2)CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is HMOOZYMCPMFBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c17-13-2-1-12-8-16(20,6-5-11(12)7-13)9-15-4-3-14(18)10-19-15/h1-4,7,10,20H,5-6,8-9H2.
What are the key properties of 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 397.11 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 104801675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).