(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol

C14H13BrFNO2 — CID 114885772

IUPAC(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)c2c(F)cccc2Br)c1
InChIInChI=1S/C14H13BrFNO2/c1-2-19-10-6-9(7-17-8-10)14(18)13-11(15)4-3-5-12(13)16/h3-8,14,18H,2H2,1H3
InChIKeySFEVXSXFJKJAEU-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.46
Rot. Bonds4

About (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol

(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol (PubChem CID 114885772) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
PubChem CID114885772
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
SMILESCCOc1cncc(C(O)c2c(F)cccc2Br)c1
InChIInChI=1S/C14H13BrFNO2/c1-2-19-10-6-9(7-17-8-10)14(18)13-11(15)4-3-5-12(13)16/h3-8,14,18H,2H2,1H3
InChIKeySFEVXSXFJKJAEU-UHFFFAOYSA-N
XLogP3.46
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 114887267
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(5-ethoxy-3-pyridinyl)-(2-fluoro-5-methylphenyl)methanol
CID 115828977
1-bromo-2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-3-fluorobenzene
CID 114560713
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(2-bromo-6-fluorophenyl)-(4-methoxyphenyl)methanol
CID 114560429
(3-bromo-5-chlorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 107947736
[(2,3-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329980
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol (CID 114885772) is (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol is CCOc1cncc(C(O)c2c(F)cccc2Br)c1.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
The InChIKey is SFEVXSXFJKJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-2-19-10-6-9(7-17-8-10)14(18)13-11(15)4-3-5-12(13)16/h3-8,14,18H,2H2,1H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol?
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol has a molecular weight of 326.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol is sourced from PubChem (CID 114885772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).