ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate

C16H14N2O2 — CID 67059870

IUPACethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-5-3-4-11(8-12)14-9-15-13(10-18-14)6-7-17-15/h3-10,17H,2H2,1H3
InChIKeyICURMYIDZXPCFJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.41
Rot. Bonds3

About ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate

ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate (PubChem CID 67059870) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate.

Molecular Properties

Compound Nameethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
PubChem CID67059870
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate
SMILESCCOC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-5-3-4-11(8-12)14-9-15-13(10-18-14)6-7-17-15/h3-10,17H,2H2,1H3
InChIKeyICURMYIDZXPCFJ-UHFFFAOYSA-N
XLogP3.41
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(5-methyl-2-pyridinyl)benzoate
CID 71746517
6-(3-chlorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 171499086
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
3-O-decyl 1-O-ethyl benzene-1,3-dicarboxylate
CID 525144
ethyl 2-(3-ethoxycarbonylphenyl)pyridine-3-carboxylate
CID 134833739
ethyl 2-(3-methoxyphenyl)quinazoline-6-carboxylate
CID 139986038
ethyl 3-(3,4-diaminophenyl)benzoate
CID 154094188
ethyl 4-hydroxy-1H-indole-6-carboxylate
CID 53399512
ethyl 3-(2-methylphenyl)benzoate
CID 161279352

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate?
The IUPAC name of ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate (CID 67059870) is ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate.
What is the SMILES notation for ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate?
The canonical SMILES for ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate is CCOC(=O)c1cccc(-c2cc3[nH]ccc3cn2)c1.
What is the InChIKey of ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate?
The InChIKey is ICURMYIDZXPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)12-5-3-4-11(8-12)14-9-15-13(10-18-14)6-7-17-15/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate?
ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate has a molecular weight of 266.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1H-pyrrolo[3,2-c]pyridin-6-yl)benzoate is sourced from PubChem (CID 67059870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).