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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Related Compounds

methyl 4-(7-chloro-1H-pyrrolo[3,2-c]pyridin-4-yl)benzoate
CID 168938371
ethyl 4-(5-hydroxy-2-pyridinyl)benzoate
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ethyl 4-[3,6-dichloro-5-(4-chlorophenyl)pyrazin-2-yl]benzoate
CID 131866480
ethyl 4-thieno[3,2-c]pyridin-4-ylbenzoate
CID 162519622
ethyl 4-(1H-pyrazol-4-yl)benzoate
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ethyl 4-pyrimidin-5-ylbenzoate
CID 12946641
ethyl 4-methylbenzoate;hydrochloride
CID 172804692
ethane;ethyl 4-methylbenzoate
CID 142095143
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 4-(1H-1,2,4-triazol-5-yl)benzoate
CID 70278800
ethyl 4-[5-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]benzoate
CID 135064894
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822

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).