[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol

C13H16BrNO — CID 162763302

IUPAC[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol
SMILESOC[C@H]1CC=C(Br)CN1Cc1ccccc1
InChIInChI=1S/C13H16BrNO/c14-12-6-7-13(10-16)15(9-12)8-11-4-2-1-3-5-11/h1-6,13,16H,7-10H2/t13-/m1/s1
InChIKeyWWTJNKWCBCZVOV-CYBMUJFWSA-N
MW282.18 g/mol
LogP2.53
Rot. Bonds3

About [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol

[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol (PubChem CID 162763302) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol
PubChem CID162763302
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol
SMILESOC[C@H]1CC=C(Br)CN1Cc1ccccc1
InChIInChI=1S/C13H16BrNO/c14-12-6-7-13(10-16)15(9-12)8-11-4-2-1-3-5-11/h1-6,13,16H,7-10H2/t13-/m1/s1
InChIKeyWWTJNKWCBCZVOV-CYBMUJFWSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-benzyl-5-bromo-3,6-dihydro-2H-pyridine-2-carboxylate
CID 175451667
(1,4-dibenzylpiperazin-2-yl)methanol
CID 10827800
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
[(2R)-1-benzyl-4-methylidenepiperidin-2-yl]methanol
CID 66735635
1-benzyl-2-ethyl-5-methyl-3,6-dihydro-2H-pyridine acetate
CID 18928792
[(2R,6S)-1-benzyl-6-(hydroxymethyl)piperidin-2-yl](113C)methanol
CID 59404485
(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
[(2S)-1-benzyl-5-methylpiperazin-2-yl]methanol
CID 178163540
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
(4-benzyl-6-methylmorpholin-3-yl)methanol
CID 131123485
(2S,3S,4R)-1-benzyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050399

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol?
The IUPAC name of [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol (CID 162763302) is [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol?
The canonical SMILES for [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol is OC[C@H]1CC=C(Br)CN1Cc1ccccc1.
What is the InChIKey of [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol?
The InChIKey is WWTJNKWCBCZVOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-12-6-7-13(10-16)15(9-12)8-11-4-2-1-3-5-11/h1-6,13,16H,7-10H2/t13-/m1/s1.
What are the key properties of [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol?
[(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol has a molecular weight of 282.18 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzyl-5-bromo-3,6-dihydro-2H-pyridin-2-yl]methanol is sourced from PubChem (CID 162763302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).