[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol

C13H16BrNO — CID 114411385

IUPAC[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
SMILESCC1=CCN(c2cc(Br)ccc2CO)CC1
InChIInChI=1S/C13H16BrNO/c1-10-4-6-15(7-5-10)13-8-12(14)3-2-11(13)9-16/h2-4,8,16H,5-7,9H2,1H3
InChIKeyRDQUTXLVIAGWLK-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.10
Rot. Bonds2

About [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol

[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol (PubChem CID 114411385) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
PubChem CID114411385
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol
SMILESCC1=CCN(c2cc(Br)ccc2CO)CC1
InChIInChI=1S/C13H16BrNO/c1-10-4-6-15(7-5-10)13-8-12(14)3-2-11(13)9-16/h2-4,8,16H,5-7,9H2,1H3
InChIKeyRDQUTXLVIAGWLK-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanol
CID 114490347
5-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)benzoic acid
CID 114896035
1-[5-bromo-2-(hydroxymethyl)phenyl]piperidin-4-ol
CID 43365039
[4-bromo-2-(4-methylsulfonylpiperazin-1-yl)phenyl]methanol
CID 55134101
[4-bromo-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]methanamine
CID 114900813
[4-bromo-2-(3-methoxypiperidin-1-yl)phenyl]methanol
CID 102960035
[4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
CID 61242440
5-chloro-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
CID 115766622
[6-methyl-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanamine
CID 114412721
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-bromophenyl]methanol
CID 43628365
1-[3-bromo-4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 114410367

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The IUPAC name of [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol (CID 114411385) is [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol is CC1=CCN(c2cc(Br)ccc2CO)CC1.
What is the InChIKey of [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
The InChIKey is RDQUTXLVIAGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-10-4-6-15(7-5-10)13-8-12(14)3-2-11(13)9-16/h2-4,8,16H,5-7,9H2,1H3.
What are the key properties of [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol?
[4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol has a molecular weight of 282.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]methanol is sourced from PubChem (CID 114411385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).