4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine

C8H7ClN2O — CID 161383513

IUPAC4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine
SMILESCOc1cc(Cl)c2c(n1)CN=C2
InChIInChI=1S/C8H7ClN2O/c1-12-8-2-6(9)5-3-10-4-7(5)11-8/h2-3H,4H2,1H3
InChIKeyVSAMKOWJMKVZGT-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.68
Rot. Bonds1

About 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine

4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine (PubChem CID 161383513) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine
PubChem CID161383513
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine
SMILESCOc1cc(Cl)c2c(n1)CN=C2
InChIInChI=1S/C8H7ClN2O/c1-12-8-2-6(9)5-3-10-4-7(5)11-8/h2-3H,4H2,1H3
InChIKeyVSAMKOWJMKVZGT-UHFFFAOYSA-N
XLogP1.68
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine (CID 161383513) is 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine is COc1cc(Cl)c2c(n1)CN=C2.
What is the InChIKey of 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is VSAMKOWJMKVZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-8-2-6(9)5-3-10-4-7(5)11-8/h2-3H,4H2,1H3.
What are the key properties of 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine?
4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 182.61 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 161383513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).