(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

C15H15BrFNO2 — CID 115829386

IUPAC(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2cccc(F)c2Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9,15,19H,1-2H3
InChIKeyAHSJCKOQKQNWBI-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.85
Rot. Bonds4

About (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol

(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 115829386) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID115829386
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1cncc(C(O)c2cccc(F)c2Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9,15,19H,1-2H3
InChIKeyAHSJCKOQKQNWBI-UHFFFAOYSA-N
XLogP3.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
(3-iodophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829366
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895183
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2-chloro-3-fluorophenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829228
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(2-chloro-3-fluorophenyl)-(5-fluoro-3-pyridinyl)methanol
CID 114981130
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 105399544

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol (CID 115829386) is (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is CC(C)Oc1cncc(C(O)c2cccc(F)c2Br)c1.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is AHSJCKOQKQNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9,15,19H,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol?
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 340.19 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 115829386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).