ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate

C11H13BrClNO4 — CID 175975420

IUPACethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Br)nc(Cl)c1C(OC)OC
InChIInChI=1S/C11H13BrClNO4/c1-4-18-10(15)6-5-7(12)14-9(13)8(6)11(16-2)17-3/h5,11H,4H2,1-3H3
InChIKeyFFGPYABCPBDSAU-UHFFFAOYSA-N
MW338.59 g/mol
LogP2.97
Rot. Bonds5

About ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate

ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate (PubChem CID 175975420) has the molecular formula C11H13BrClNO4 and a molecular weight of 338.59 g/mol. Its IUPAC name is ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
PubChem CID175975420
Molecular FormulaC11H13BrClNO4
Molecular Weight338.59 g/mol
Exact Mass336.97
IUPAC Nameethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Br)nc(Cl)c1C(OC)OC
InChIInChI=1S/C11H13BrClNO4/c1-4-18-10(15)6-5-7(12)14-9(13)8(6)11(16-2)17-3/h5,11H,4H2,1-3H3
InChIKeyFFGPYABCPBDSAU-UHFFFAOYSA-N
XLogP2.97
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-3-methylpyridazine-4-carboxylate
CID 162520168
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
ethyl 2-bromo-6-(chloromethyl)-3-(difluoromethyl)pyridine-4-carboxylate
CID 134674806
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 6-bromo-3-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 86703418
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
ethyl 3-(bromomethyl)-2,6-dichloropyridine-4-carboxylate
CID 46899908
ethyl 3-(difluoromethyl)-2-iodo-6-methoxypyridine-4-carboxylate
CID 133101862
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
ethyl 3-amino-2-chloro-6-(difluoromethyl)pyridine-4-carboxylate
CID 134671239
tetraethyl pentacene-2,3,9,10-tetracarboxylate
CID 102587612
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate (CID 175975420) is ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(Br)nc(Cl)c1C(OC)OC.
What is the InChIKey of ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
The InChIKey is FFGPYABCPBDSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4/c1-4-18-10(15)6-5-7(12)14-9(13)8(6)11(16-2)17-3/h5,11H,4H2,1-3H3.
What are the key properties of ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate?
ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate has a molecular weight of 338.59 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-chloro-3-(dimethoxymethyl)pyridine-4-carboxylate is sourced from PubChem (CID 175975420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).