(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol

C14H13BrClNO2 — CID 107947736

IUPAC(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H13BrClNO2/c1-2-19-13-5-10(7-17-8-13)14(18)9-3-11(15)6-12(16)4-9/h3-8,14,18H,2H2,1H3
InChIKeyRJQLASAYMYXUBR-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.98
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol

(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol (PubChem CID 107947736) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
PubChem CID107947736
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H13BrClNO2/c1-2-19-13-5-10(7-17-8-13)14(18)9-3-11(15)6-12(16)4-9/h3-8,14,18H,2H2,1H3
InChIKeyRJQLASAYMYXUBR-UHFFFAOYSA-N
XLogP3.98
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-bromo-5-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 107948448
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
2-(3-chlorophenoxy)-1-(5-ethoxy-3-pyridinyl)ethanol
CID 105121340
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
1-bromo-3-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-5-chlorobenzene
CID 107959022
(1,3-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methanol
CID 83091118
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanol
CID 107947461
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
N-[(3-bromo-5-chlorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107946517
(3-bromo-5-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 107947817

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The IUPAC name of (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol (CID 107947736) is (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol is CCOc1cncc(C(O)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The InChIKey is RJQLASAYMYXUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c1-2-19-13-5-10(7-17-8-13)14(18)9-3-11(15)6-12(16)4-9/h3-8,14,18H,2H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol has a molecular weight of 342.62 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol is sourced from PubChem (CID 107947736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).