methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate

C15H17ClN2O3 — CID 91672501

IUPACmethyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
SMILESCOCCn1c(C)c(C(=O)OC)c(Cl)c1-c1cccnc1
InChIInChI=1S/C15H17ClN2O3/c1-10-12(15(19)21-3)13(16)14(18(10)7-8-20-2)11-5-4-6-17-9-11/h4-6,9H,7-8H2,1-3H3
InChIKeySMIDOLOPYVDURW-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.94
Rot. Bonds5

About methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate

methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate (PubChem CID 91672501) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
PubChem CID91672501
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Namemethyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate
SMILESCOCCn1c(C)c(C(=O)OC)c(Cl)c1-c1cccnc1
InChIInChI=1S/C15H17ClN2O3/c1-10-12(15(19)21-3)13(16)14(18(10)7-8-20-2)11-5-4-6-17-9-11/h4-6,9H,7-8H2,1-3H3
InChIKeySMIDOLOPYVDURW-UHFFFAOYSA-N
XLogP2.94
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The IUPAC name of methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate (CID 91672501) is methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The canonical SMILES for methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate is COCCn1c(C)c(C(=O)OC)c(Cl)c1-c1cccnc1.
What is the InChIKey of methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
The InChIKey is SMIDOLOPYVDURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-10-12(15(19)21-3)13(16)14(18(10)7-8-20-2)11-5-4-6-17-9-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate?
methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate has a molecular weight of 308.77 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1-(2-methoxyethyl)-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylate is sourced from PubChem (CID 91672501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).