methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate

C10H9ClN2O2 — CID 175615221

IUPACmethyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)n(C)c2ncccc12
InChIInChI=1S/C10H9ClN2O2/c1-13-8(11)7(10(14)15-2)6-4-3-5-12-9(6)13/h3-5H,1-2H3
InChIKeyYFYLVCRGOKDUIX-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.01
Rot. Bonds1

About methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate

methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 175615221) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID175615221
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Namemethyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(Cl)n(C)c2ncccc12
InChIInChI=1S/C10H9ClN2O2/c1-13-8(11)7(10(14)15-2)6-4-3-5-12-9(6)13/h3-5H,1-2H3
InChIKeyYFYLVCRGOKDUIX-UHFFFAOYSA-N
XLogP2.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate (CID 175615221) is methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c(Cl)n(C)c2ncccc12.
What is the InChIKey of methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is YFYLVCRGOKDUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-13-8(11)7(10(14)15-2)6-4-3-5-12-9(6)13/h3-5H,1-2H3.
What are the key properties of methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 224.65 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-1-methylpyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 175615221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).