(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol

C16H18BrNO3 — CID 115606169

IUPAC(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(Br)cn2)cc1OCC
InChIInChI=1S/C16H18BrNO3/c1-3-20-14-8-5-11(9-15(14)21-4-2)16(19)13-7-6-12(17)10-18-13/h5-10,16,19H,3-4H2,1-2H3
InChIKeyAHZGBEPBKUQFHX-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.72
Rot. Bonds6

About (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol

(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol (PubChem CID 115606169) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
PubChem CID115606169
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(Br)cn2)cc1OCC
InChIInChI=1S/C16H18BrNO3/c1-3-20-14-8-5-11(9-15(14)21-4-2)16(19)13-7-6-12(17)10-18-13/h5-10,16,19H,3-4H2,1-2H3
InChIKeyAHZGBEPBKUQFHX-UHFFFAOYSA-N
XLogP3.72
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methanol
CID 113230461
(3,4-diethoxyphenyl)-pyrimidin-2-ylmethanol
CID 62790303
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 63796447
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
(3,4-diethoxyphenyl)-(thiadiazol-5-yl)methanol
CID 105094432
(4,5-dibromothiophen-2-yl)-(3,4-diethoxyphenyl)methanol
CID 80533947
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol (CID 115606169) is (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol is CCOc1ccc(C(O)c2ccc(Br)cn2)cc1OCC.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol?
The InChIKey is AHZGBEPBKUQFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-3-20-14-8-5-11(9-15(14)21-4-2)16(19)13-7-6-12(17)10-18-13/h5-10,16,19H,3-4H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol?
(5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol has a molecular weight of 352.23 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(3,4-diethoxyphenyl)methanol is sourced from PubChem (CID 115606169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).