benzyl pyrrolo[3,2-c]pyridine-1-carboxylate

C15H12N2O2 — CID 71061443

IUPACbenzyl pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)n1ccc2cnccc21
InChIInChI=1S/C15H12N2O2/c18-15(19-11-12-4-2-1-3-5-12)17-9-7-13-10-16-8-6-14(13)17/h1-10H,11H2
InChIKeyZCVDJRSFLQVAOO-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.22
Rot. Bonds2

About benzyl pyrrolo[3,2-c]pyridine-1-carboxylate

benzyl pyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 71061443) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl pyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl pyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID71061443
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Namebenzyl pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESO=C(OCc1ccccc1)n1ccc2cnccc21
InChIInChI=1S/C15H12N2O2/c18-15(19-11-12-4-2-1-3-5-12)17-9-7-13-10-16-8-6-14(13)17/h1-10H,11H2
InChIKeyZCVDJRSFLQVAOO-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester
CID 44403560
Benzyl pyridin-4-ylcarbamate
CID 4323925
Phenyl 4-(2-pyrrolo[3,2-c]pyridin-1-ylethyl)piperazine-1-carboxylate
CID 145951466
Benzyl pyrrole-1-carboxylate
CID 359024
(1-Acetylindol-3-yl)methyl acetate
CID 1238761
Benzyl indazole-2-carboxylate
CID 12285824
benzyl 4-(1H-indol-4-yl)-piperazine-1-carboxylate
CID 13236629
Carbamic acid, (1,2,3,6-tetrahydro-1-(2-(1H-indol-3-yl)ethyl)-4-pyridinyl)-, phenylmethyl ester
CID 213616
1-[3-(3-acetyl-2-pyridin-4-yl-2H-1,3,4-oxadiazol-5-yl)indol-1-yl]ethanone
CID 22577213
1-[3-[(2R)-3-acetyl-2-pyridin-3-yl-2H-1,3,4-oxadiazol-5-yl]indol-1-yl]ethanone
CID 92712941
(2-Methyl-3-pyridinyl)methyl 1,3-dihydroisoindole-2-carboxylate
CID 172438394
Benzyl 5-fluoro-1H-indole-1-carboxylate
CID 9860195

Frequently Asked Questions

What is the IUPAC name of benzyl pyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of benzyl pyrrolo[3,2-c]pyridine-1-carboxylate (CID 71061443) is benzyl pyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for benzyl pyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for benzyl pyrrolo[3,2-c]pyridine-1-carboxylate is O=C(OCc1ccccc1)n1ccc2cnccc21.
What is the InChIKey of benzyl pyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is ZCVDJRSFLQVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19-11-12-4-2-1-3-5-12)17-9-7-13-10-16-8-6-14(13)17/h1-10H,11H2.
What are the key properties of benzyl pyrrolo[3,2-c]pyridine-1-carboxylate?
benzyl pyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl pyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 71061443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).