5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C17H18BrNO — CID 104801482

IUPAC5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccc(Br)cn2)CCCCc2ccccc21
InChIInChI=1S/C17H18BrNO/c18-14-8-9-15(19-12-14)11-17(20)10-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-9,12,20H,3-4,6,10-11H2
InChIKeyJFFOXXRULKLJGY-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.00
Rot. Bonds2

About 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 104801482) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID104801482
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccc(Br)cn2)CCCCc2ccccc21
InChIInChI=1S/C17H18BrNO/c18-14-8-9-15(19-12-14)11-17(20)10-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-9,12,20H,3-4,6,10-11H2
InChIKeyJFFOXXRULKLJGY-UHFFFAOYSA-N
XLogP4.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-bromo-2-pyridinyl)methyl]-1,1-dioxo-2,3-dihydrothiochromen-4-ol
CID 104802436
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148
5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 82870193
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60799204
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
1-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111916624
1-[(5-bromo-2-pyridinyl)methyl]-2-oxocyclohexane-1-carboxylic acid
CID 103574974

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 104801482) is 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(Cc2ccc(Br)cn2)CCCCc2ccccc21.
What is the InChIKey of 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is JFFOXXRULKLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-14-8-9-15(19-12-14)11-17(20)10-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-9,12,20H,3-4,6,10-11H2.
What are the key properties of 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 332.24 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 104801482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).