ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate

C16H15N3O2 — CID 135061653

IUPACethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2ccn(Cc3ccccn3)c2cn1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)14-9-12-6-8-19(15(12)10-18-14)11-13-5-3-4-7-17-13/h3-10H,2,11H2,1H3
InChIKeyRWDVXUDCNQGCEZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.66
Rot. Bonds4

About ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate

ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate (PubChem CID 135061653) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate
PubChem CID135061653
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCCOC(=O)c1cc2ccn(Cc3ccccn3)c2cn1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)14-9-12-6-8-19(15(12)10-18-14)11-13-5-3-4-7-17-13/h3-10H,2,11H2,1H3
InChIKeyRWDVXUDCNQGCEZ-UHFFFAOYSA-N
XLogP2.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Propyl beta-carboline-3-carboxylate
CID 123662
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
Nbbcc
CID 128618
ethyl 6-iodo-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13037317
4-Methoxymethyl-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 13041786
3-[(4-Fluorophenyl)methyl]-7-hydroxy-1-(2-pyridylmethoxymethyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53239298
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[(tetrahydro-2h-pyran-4-yl)oxy]methyl]-
CID 15957083
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,3-[(2-ethoxyethoxy)methyl]-1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-
CID 15957085
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-
CID 15957087
sec-butyl 9H-pyrido[3,4-b]indole-3-carboxylate
CID 14151061

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate (CID 135061653) is ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate is CCOC(=O)c1cc2ccn(Cc3ccccn3)c2cn1.
What is the InChIKey of ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate?
The InChIKey is RWDVXUDCNQGCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)14-9-12-6-8-19(15(12)10-18-14)11-13-5-3-4-7-17-13/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate?
ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-2-ylmethyl)pyrrolo[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 135061653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).