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

C20H20BrNO2 — CID 18367612

IUPAC4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
SMILESCC(Oc1ccc2cc(Br)ccc2c1)C(O)CCc1cccnc1
InChIInChI=1S/C20H20BrNO2/c1-14(20(23)9-4-15-3-2-10-22-13-15)24-19-8-6-16-11-18(21)7-5-17(16)12-19/h2-3,5-8,10-14,20,23H,4,9H2,1H3
InChIKeyVAUVCHDAJABCPD-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.76
Rot. Bonds6

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

4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol (PubChem CID 18367612) has the molecular formula C20H20BrNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol.

Molecular Properties

Compound Name4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
PubChem CID18367612
Molecular FormulaC20H20BrNO2
Molecular Weight386.29 g/mol
Exact Mass385.07
IUPAC Name4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol
SMILESCC(Oc1ccc2cc(Br)ccc2c1)C(O)CCc1cccnc1
InChIInChI=1S/C20H20BrNO2/c1-14(20(23)9-4-15-3-2-10-22-13-15)24-19-8-6-16-11-18(21)7-5-17(16)12-19/h2-3,5-8,10-14,20,23H,4,9H2,1H3
InChIKeyVAUVCHDAJABCPD-UHFFFAOYSA-N
XLogP4.76
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
2,2,2-trifluoro-N-[3-[4-[(2S)-3-hydroxy-5-pyridin-3-ylpentan-2-yl]oxyphenyl]phenyl]-N-methylacetamide
CID 59970472
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
2,5-difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide
CID 20692758
(3R,4S)-4-[4-(2-methoxy-2H-pyrimidin-1-yl)phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 141004420
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(2R)-2-(3-bromophenoxy)-N'-(3-pyridin-3-ylpropanoyl)propanehydrazide
CID 9154957

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol?
The IUPAC name of 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol (CID 18367612) is 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol.
What is the SMILES notation for 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol?
The canonical SMILES for 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol is CC(Oc1ccc2cc(Br)ccc2c1)C(O)CCc1cccnc1.
What is the InChIKey of 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol?
The InChIKey is VAUVCHDAJABCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrNO2/c1-14(20(23)9-4-15-3-2-10-22-13-15)24-19-8-6-16-11-18(21)7-5-17(16)12-19/h2-3,5-8,10-14,20,23H,4,9H2,1H3.
What are the key properties of 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol?
4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol has a molecular weight of 386.29 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromonaphthalen-2-yl)oxy-1-pyridin-3-ylpentan-3-ol is sourced from PubChem (CID 18367612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).