5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane

C9H10BrF2NO2 — CID 156803169

IUPAC5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ncc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO2.C2H6/c8-3-1-4(6(9)10)5(7(12)13)11-2-3;1-2/h1-2,6H,(H,12,13);1-2H3
InChIKeyRSPISIKXEAYASX-UHFFFAOYSA-N
MW282.08 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane

5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane (PubChem CID 156803169) has the molecular formula C9H10BrF2NO2 and a molecular weight of 282.08 g/mol. Its IUPAC name is 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane.

Molecular Properties

Compound Name5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
PubChem CID156803169
Molecular FormulaC9H10BrF2NO2
Molecular Weight282.08 g/mol
Exact Mass280.99
IUPAC Name5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1ncc(Br)cc1C(F)F
InChIInChI=1S/C7H4BrF2NO2.C2H6/c8-3-1-4(6(9)10)5(7(12)13)11-2-3;1-2/h1-2,6H,(H,12,13);1-2H3
InChIKeyRSPISIKXEAYASX-UHFFFAOYSA-N
XLogP3.51
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane 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

azetidin-1-yl-[5-bromo-3-(difluoromethyl)-2-pyridinyl]methanone
CID 156563536
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130098534
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
3-cyano-5-(difluoromethyl)-4-methylpyridine-2-carboxylic acid
CID 130078420
5-bromo-3-hydroxypyridine-2-carboxylic acid
CID 46315212
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
5-bromo-3-tert-butylpyridine-2-carboxylic acid
CID 84729396
3-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130081955
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
5-bromo-3-formylpyridine-2-carboxylic acid
CID 90456773
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane?
The IUPAC name of 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane (CID 156803169) is 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane.
What is the SMILES notation for 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane?
The canonical SMILES for 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane is CC.O=C(O)c1ncc(Br)cc1C(F)F.
What is the InChIKey of 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane?
The InChIKey is RSPISIKXEAYASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2.C2H6/c8-3-1-4(6(9)10)5(7(12)13)11-2-3;1-2/h1-2,6H,(H,12,13);1-2H3.
What are the key properties of 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane?
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane has a molecular weight of 282.08 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane is sourced from PubChem (CID 156803169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).