ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate

C10H10BrF2NO2 — CID 134685203

IUPACethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(Br)cnc(C)c1C(F)F
InChIInChI=1S/C10H10BrF2NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3
InChIKeyOINCLQXKOXHSEC-UHFFFAOYSA-N
MW294.10 g/mol
LogP3.27
Rot. Bonds3

About ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate

ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate (PubChem CID 134685203) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
PubChem CID134685203
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Nameethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1c(Br)cnc(C)c1C(F)F
InChIInChI=1S/C10H10BrF2NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3
InChIKeyOINCLQXKOXHSEC-UHFFFAOYSA-N
XLogP3.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134683617
ethyl 3-(difluoromethyl)-5-fluoro-2-methylpyridine-4-carboxylate
CID 133105223
ethyl 4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 134669516
ethyl 2,4-dibromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134683196
ethyl 4-(difluoromethyl)-2,5-difluoropyridine-3-carboxylate
CID 134661746
methyl 2-(aminomethyl)-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134675412
ethyl 5-(bromomethyl)-4-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 133103882
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
ethyl 6-(aminomethyl)-5-bromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675420
ethyl 5-(aminomethyl)-4-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100784
ethyl 6-bromo-5-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134667767
ethyl 6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridine-3-carboxylate
CID 134671858

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate (CID 134685203) is ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate is CCOC(=O)c1c(Br)cnc(C)c1C(F)F.
What is the InChIKey of ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate?
The InChIKey is OINCLQXKOXHSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-3-16-10(15)8-6(11)4-14-5(2)7(8)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate?
ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate has a molecular weight of 294.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-3-(difluoromethyl)-2-methylpyridine-4-carboxylate is sourced from PubChem (CID 134685203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).