ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate

C11H12N2O2 — CID 133060055

IUPACethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(C)cncc12
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-6-13-10-7(2)4-12-5-8(9)10/h4-6,13H,3H2,1-2H3
InChIKeyOMHOALFUMQDSGM-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.05
Rot. Bonds2

About ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate

ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate (PubChem CID 133060055) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
PubChem CID133060055
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(C)cncc12
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-6-13-10-7(2)4-12-5-8(9)10/h4-6,13H,3H2,1-2H3
InChIKeyOMHOALFUMQDSGM-UHFFFAOYSA-N
XLogP2.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate (CID 133060055) is ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate is CCOC(=O)c1c[nH]c2c(C)cncc12.
What is the InChIKey of ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
The InChIKey is OMHOALFUMQDSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-11(14)9-6-13-10-7(2)4-12-5-8(9)10/h4-6,13H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate?
ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 133060055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).