(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C14H14BrF2NO2 — CID 114390156

IUPAC(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C14H14BrF2NO2/c1-20-8-9-2-4-18(5-3-9)14(19)13-11(16)6-10(15)7-12(13)17/h2,6-7H,3-5,8H2,1H3
InChIKeyQOGLKGIJGCVLSC-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.15
Rot. Bonds3

About (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114390156) has the molecular formula C14H14BrF2NO2 and a molecular weight of 346.17 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114390156
Molecular FormulaC14H14BrF2NO2
Molecular Weight346.17 g/mol
Exact Mass345.02
IUPAC Name(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)c2c(F)cc(Br)cc2F)CC1
InChIInChI=1S/C14H14BrF2NO2/c1-20-8-9-2-4-18(5-3-9)14(19)13-11(16)6-10(15)7-12(13)17/h2,6-7H,3-5,8H2,1H3
InChIKeyQOGLKGIJGCVLSC-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromothiophen-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104919707
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
CID 104919718
(4-fluoro-2-methylphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390157
(6-bromo-3-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408641
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
(2,5-dihydroxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107723876
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114412341
2-bromo-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 107905856
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
(2-hydroxy-4-methoxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114410052
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
(2-chloro-6-ethyl-4-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408661

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114390156) is (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COCC1=CCN(C(=O)c2c(F)cc(Br)cc2F)CC1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is QOGLKGIJGCVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO2/c1-20-8-9-2-4-18(5-3-9)14(19)13-11(16)6-10(15)7-12(13)17/h2,6-7H,3-5,8H2,1H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 346.17 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114390156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).