ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate

C17H16N2O2 — CID 168938358

IUPACethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncc(C)c3[nH]ccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)13-6-4-12(5-7-13)16-14-8-9-18-15(14)11(2)10-19-16/h4-10,18H,3H2,1-2H3
InChIKeyPSTIQEFNJQKQNR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.72
Rot. Bonds3

About ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate

ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate (PubChem CID 168938358) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
PubChem CID168938358
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ncc(C)c3[nH]ccc23)cc1
InChIInChI=1S/C17H16N2O2/c1-3-21-17(20)13-6-4-12(5-7-13)16-14-8-9-18-15(14)11(2)10-19-16/h4-10,18H,3H2,1-2H3
InChIKeyPSTIQEFNJQKQNR-UHFFFAOYSA-N
XLogP3.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The IUPAC name of ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate (CID 168938358) is ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate.
What is the SMILES notation for ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The canonical SMILES for ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate is CCOC(=O)c1ccc(-c2ncc(C)c3[nH]ccc23)cc1.
What is the InChIKey of ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
The InChIKey is PSTIQEFNJQKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-3-21-17(20)13-6-4-12(5-7-13)16-14-8-9-18-15(14)11(2)10-19-16/h4-10,18H,3H2,1-2H3.
What are the key properties of ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate?
ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate has a molecular weight of 280.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-methyl-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate is sourced from PubChem (CID 168938358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).