(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol

C19H18BrNO2 — CID 70240277

IUPAC(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
SMILESO[C@@H](CCc1cccnc1)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H18BrNO2/c20-17-6-4-16-11-19(8-5-15(16)10-17)23-13-18(22)7-3-14-2-1-9-21-12-14/h1-2,4-6,8-12,18,22H,3,7,13H2/t18-/m0/s1
InChIKeyPZMWEPMIDJMVTA-SFHVURJKSA-N
MW372.26 g/mol
LogP4.37
Rot. Bonds6

About (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol

(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol (PubChem CID 70240277) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
PubChem CID70240277
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
SMILESO[C@@H](CCc1cccnc1)COc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C19H18BrNO2/c20-17-6-4-16-11-19(8-5-15(16)10-17)23-13-18(22)7-3-14-2-1-9-21-12-14/h1-2,4-6,8-12,18,22H,3,7,13H2/t18-/m0/s1
InChIKeyPZMWEPMIDJMVTA-SFHVURJKSA-N
XLogP4.37
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
CID 18367612
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
CID 20637932
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
CID 54376995
1-[4-(1-bicyclo[2.2.2]octanylmethoxy)phenoxy]-4-pyridin-3-ylbutan-2-ol;oxalic acid
CID 67597547
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
CID 54290314
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
1-(6-bromonaphthalen-2-yl)oxy-3-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-2-ol
CID 5070241
(2R)-1-(3-bromophenoxy)pentan-2-ol
CID 159297241
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol?
The IUPAC name of (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol (CID 70240277) is (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol?
The canonical SMILES for (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol is O[C@@H](CCc1cccnc1)COc1ccc2cc(Br)ccc2c1.
What is the InChIKey of (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol?
The InChIKey is PZMWEPMIDJMVTA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-17-6-4-16-11-19(8-5-15(16)10-17)23-13-18(22)7-3-14-2-1-9-21-12-14/h1-2,4-6,8-12,18,22H,3,7,13H2/t18-/m0/s1.
What are the key properties of (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol?
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol has a molecular weight of 372.26 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 70240277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).