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

C15H13BrFNO2 — CID 115794634

IUPAC(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2cccc(F)c2Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9H,1-2H3
InChIKeyLGZQMHZYTGPYER-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.00
Rot. Bonds4

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

(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 115794634) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID115794634
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
SMILESCC(C)Oc1cncc(C(=O)c2cccc(F)c2Br)c1
InChIInChI=1S/C15H13BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9H,1-2H3
InChIKeyLGZQMHZYTGPYER-UHFFFAOYSA-N
XLogP4.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 115794720
(2-amino-5-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 116581347
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 107957496
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614
(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645645
(5-methoxy-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 115793452
(3-methoxy-4-methylphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794697

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone (CID 115794634) is (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone 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)methanone?
The InChIKey is LGZQMHZYTGPYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-9(2)20-11-6-10(7-18-8-11)15(19)12-4-3-5-13(17)14(12)16/h3-9H,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone?
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 338.18 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 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)methanone is sourced from PubChem (CID 115794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).