methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

C9H7ClN2O2 — CID 45073300

IUPACmethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(Cl)c2[nH]1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-6-8(12-7)5(10)2-3-11-6/h2-4,12H,1H3
InChIKeyDQBUZBSXMBSOIM-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.00
Rot. Bonds1

About methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate

methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 45073300) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
PubChem CID45073300
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Namemethyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1cc2nccc(Cl)c2[nH]1
InChIInChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-6-8(12-7)5(10)2-3-11-6/h2-4,12H,1H3
InChIKeyDQBUZBSXMBSOIM-UHFFFAOYSA-N
XLogP2.00
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CID 45073300) is methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is COC(=O)c1cc2nccc(Cl)c2[nH]1.
What is the InChIKey of methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
The InChIKey is DQBUZBSXMBSOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-6-8(12-7)5(10)2-3-11-6/h2-4,12H,1H3.
What are the key properties of methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate?
methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 210.62 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 45073300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).