5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one

C13H10Br2F4N2O2 — CID 158282793

IUPAC5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESCOc1ncc(Br)cc1C(F)F.O=c1[nH]cc(Br)cc1C(F)F
InChIInChI=1S/C7H6BrF2NO.C6H4BrF2NO/c1-12-7-5(6(9)10)2-4(8)3-11-7;7-3-1-4(5(8)9)6(11)10-2-3/h2-3,6H,1H3;1-2,5H,(H,10,11)
InChIKeyGKKIZABGLCCUKE-UHFFFAOYSA-N
MW462.04 g/mol
LogP4.87
Rot. Bonds3

About 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one

5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 158282793) has the molecular formula C13H10Br2F4N2O2 and a molecular weight of 462.04 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID158282793
Molecular FormulaC13H10Br2F4N2O2
Molecular Weight462.04 g/mol
Exact Mass459.90
IUPAC Name5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one
SMILESCOc1ncc(Br)cc1C(F)F.O=c1[nH]cc(Br)cc1C(F)F
InChIInChI=1S/C7H6BrF2NO.C6H4BrF2NO/c1-12-7-5(6(9)10)2-4(8)3-11-7;7-3-1-4(5(8)9)6(11)10-2-3/h2-3,6H,1H3;1-2,5H,(H,10,11)
InChIKeyGKKIZABGLCCUKE-UHFFFAOYSA-N
XLogP4.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.04
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one 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

3-bromo-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130110070
5-(difluoromethyl)-6-methoxypyridin-3-ol
CID 130096969
S-(5-bromo-2-methoxy-3-pyridinyl)thiohydroxylamine
CID 126518732
(1S)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130690048
(1R)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130632467
5-bromo-2-methoxy-3-propan-2-ylpyridine;(6-methoxy-5-propan-2-yl-3-pyridinyl)boronic acid
CID 164973115
5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
CID 158233304
2,3-dibromo-5-(difluoromethyl)-6-methoxypyridine
CID 119011483
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
4-bromo-5-(difluoromethyl)-2-methoxypyridine-3-carboxamide
CID 118816904
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
3,4-dichloro-5-(difluoromethyl)-2-methoxypyridine
CID 130099248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one (CID 158282793) is 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is COc1ncc(Br)cc1C(F)F.O=c1[nH]cc(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is GKKIZABGLCCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO.C6H4BrF2NO/c1-12-7-5(6(9)10)2-4(8)3-11-7;7-3-1-4(5(8)9)6(11)10-2-3/h2-3,6H,1H3;1-2,5H,(H,10,11).
What are the key properties of 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one?
5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 462.04 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)-2-methoxypyridine;5-bromo-3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 158282793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).