(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone

C13H8BrF2NO2 — CID 114270603

IUPAC(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)c2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C13H8BrF2NO2/c1-19-13-11(16)8(4-5-17-13)12(18)7-2-3-9(14)10(15)6-7/h2-6H,1H3
InChIKeyJOVWKOCIJBCMCX-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.36
Rot. Bonds3

About (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone

(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone (PubChem CID 114270603) has the molecular formula C13H8BrF2NO2 and a molecular weight of 328.11 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
PubChem CID114270603
Molecular FormulaC13H8BrF2NO2
Molecular Weight328.11 g/mol
Exact Mass326.97
IUPAC Name(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
SMILESCOc1nccc(C(=O)c2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C13H8BrF2NO2/c1-19-13-11(16)8(4-5-17-13)12(18)7-2-3-9(14)10(15)6-7/h2-6H,1H3
InChIKeyJOVWKOCIJBCMCX-UHFFFAOYSA-N
XLogP3.36
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(4-bromo-3-fluorophenyl)-(3-methoxyphenyl)methanone
CID 24722787
(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 114270645
(3,5-dimethyl-2-pyridinyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone
CID 114270328
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(4-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 114965929
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The IUPAC name of (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone (CID 114270603) is (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone is COc1nccc(C(=O)c2ccc(Br)c(F)c2)c1F.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
The InChIKey is JOVWKOCIJBCMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2/c1-19-13-11(16)8(4-5-17-13)12(18)7-2-3-9(14)10(15)6-7/h2-6H,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone?
(4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone has a molecular weight of 328.11 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(3-fluoro-2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 114270603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).