ethyl 2-bromo-4-chloropyrimidine-5-carboxylate

C7H6BrClN2O2 — CID 131528949

IUPACethyl 2-bromo-4-chloropyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Br)nc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3
InChIKeyWLEPXDFXNGKNBG-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.07
Rot. Bonds2

About ethyl 2-bromo-4-chloropyrimidine-5-carboxylate

ethyl 2-bromo-4-chloropyrimidine-5-carboxylate (PubChem CID 131528949) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is ethyl 2-bromo-4-chloropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-4-chloropyrimidine-5-carboxylate
PubChem CID131528949
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Nameethyl 2-bromo-4-chloropyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Br)nc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3
InChIKeyWLEPXDFXNGKNBG-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-chloro-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 82169020
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 2-(5-bromo-3-pyridinyl)-4-chloropyrimidine-5-carboxylate
CID 114213781
ethane;ethyl 4-chloro-2-(2-hydroxyphenyl)pyrimidine-5-carboxylate
CID 142985875
ethyl 4-chloro-2-[2-(dimethylamino)ethyl-methylamino]pyrimidine-5-carboxylate
CID 168948233
ethyl 4-chloro-2-[(3-ethoxy-3-oxopropyl)amino]pyrimidine-5-carboxylate
CID 174635272
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
ethyl 4-chloro-2-(4-methyl-2-pyridinyl)pyrimidine-5-carboxylate
CID 114213771
ethyl 4-chloro-2-(pyridin-2-ylmethyl)pyrimidine-5-carboxylate
CID 114213761
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-4-chloropyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-bromo-4-chloropyrimidine-5-carboxylate (CID 131528949) is ethyl 2-bromo-4-chloropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-bromo-4-chloropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-bromo-4-chloropyrimidine-5-carboxylate is CCOC(=O)c1cnc(Br)nc1Cl.
What is the InChIKey of ethyl 2-bromo-4-chloropyrimidine-5-carboxylate?
The InChIKey is WLEPXDFXNGKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3.
What are the key properties of ethyl 2-bromo-4-chloropyrimidine-5-carboxylate?
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate has a molecular weight of 265.49 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-4-chloropyrimidine-5-carboxylate is sourced from PubChem (CID 131528949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).