ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate

C10H10ClN3O2 — CID 122129786

IUPACethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)ncnc2n1C
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-6-8(11)12-5-13-9(6)14(7)2/h4-5H,3H2,1-2H3
InChIKeyGSKASENWCWKFIN-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.80
Rot. Bonds2

About ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate

ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 122129786) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID122129786
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(Cl)ncnc2n1C
InChIInChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-6-8(11)12-5-13-9(6)14(7)2/h4-5H,3H2,1-2H3
InChIKeyGSKASENWCWKFIN-UHFFFAOYSA-N
XLogP1.80
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 122129786) is ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(Cl)ncnc2n1C.
What is the InChIKey of ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is GSKASENWCWKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-3-16-10(15)7-4-6-8(11)12-5-13-9(6)14(7)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-7-methylpyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 122129786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).