methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate

C11H12N2O2 — CID 175290315

IUPACmethyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCCc1c[nH]c2cc(C(=O)OC)ncc12
InChIInChI=1S/C11H12N2O2/c1-3-7-5-12-9-4-10(11(14)15-2)13-6-8(7)9/h4-6,12H,3H2,1-2H3
InChIKeyAMGPHIWDSNHQEG-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.91
Rot. Bonds2

About methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate

methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate (PubChem CID 175290315) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
PubChem CID175290315
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namemethyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate
SMILESCCc1c[nH]c2cc(C(=O)OC)ncc12
InChIInChI=1S/C11H12N2O2/c1-3-7-5-12-9-4-10(11(14)15-2)13-6-8(7)9/h4-6,12H,3H2,1-2H3
InChIKeyAMGPHIWDSNHQEG-UHFFFAOYSA-N
XLogP1.91
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1H-pyrrolo[3,2-c]pyridin-6-yl)carbamic acid
CID 174758035
methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 5-ethyl-4-methylpyridine-2-carboxylate
CID 130047128
6-bromo-3-ethyl-1H-pyrrolo[3,2-c]pyridine;ethane
CID 144813636
ethyl 3-(hydroxymethyl)-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
CID 12043936
N-hydroxy-3-[(2,3,4-trifluorophenoxy)methyl]-1H-pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87458709
4-O-ethyl 2-O,5-O-dimethyl pyridine-2,4,5-tricarboxylate
CID 23171065
methyl 7-hydroxyisoquinoline-3-carboxylate
CID 53419788
methyl 5-hydroxyisoquinoline-3-carboxylate
CID 131582448
methyl 5-(aminomethyl)-4-methoxypyridine-2-carboxylate
CID 166869376
methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate
CID 175187730
methyl 5-chloropyridazine-3-carboxylate
CID 131699995

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate (CID 175290315) is methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate is CCc1c[nH]c2cc(C(=O)OC)ncc12.
What is the InChIKey of methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate?
The InChIKey is AMGPHIWDSNHQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-7-5-12-9-4-10(11(14)15-2)13-6-8(7)9/h4-6,12H,3H2,1-2H3.
What are the key properties of methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate?
methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1H-pyrrolo[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 175290315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).