ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

C10H10BrF2NO3 — CID 134675839

IUPACethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(Br)cc(OC)nc1C(F)F
InChIInChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-5(11)4-6(16-2)14-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyWGHBOYKSIFCVHC-UHFFFAOYSA-N
MW310.09 g/mol
LogP2.97
Rot. Bonds4

About ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (PubChem CID 134675839) has the molecular formula C10H10BrF2NO3 and a molecular weight of 310.09 g/mol. Its IUPAC name is ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
PubChem CID134675839
Molecular FormulaC10H10BrF2NO3
Molecular Weight310.09 g/mol
Exact Mass308.98
IUPAC Nameethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(Br)cc(OC)nc1C(F)F
InChIInChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-5(11)4-6(16-2)14-8(7)9(12)13/h4,9H,3H2,1-2H3
InChIKeyWGHBOYKSIFCVHC-UHFFFAOYSA-N
XLogP2.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
CID 133085086
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
ethyl 4-(difluoromethyl)-2-iodo-6-methoxypyridine-3-carboxylate
CID 133102053
methyl 4-bromo-2-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130069477
ethyl 2-(difluoromethyl)-6-fluoro-4-methylpyridine-3-carboxylate
CID 133104874
ethyl 4,6-diamino-2-(difluoromethyl)pyridine-3-carboxylate
CID 134684313
ethyl 6-amino-4-(bromomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134683777
2-(difluoromethyl)-4,6-dimethoxypyridine-3-carboxamide
CID 118809246
ethyl 3-bromo-6-(difluoromethyl)-5-hydroxypyridine-2-carboxylate
CID 134670794
ethyl 5-amino-3-bromo-6-(difluoromethyl)pyridine-2-carboxylate
CID 134658559
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (CID 134675839) is ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is CCOC(=O)c1c(Br)cc(OC)nc1C(F)F.
What is the InChIKey of ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The InChIKey is WGHBOYKSIFCVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO3/c1-3-17-10(15)7-5(11)4-6(16-2)14-8(7)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate has a molecular weight of 310.09 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134675839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).