4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine

C8H7ClN2O — CID 26076417

IUPAC4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C8H7ClN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKeyVAHOYWJOMYELTR-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.22
Rot. Bonds1

About 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine

4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine (PubChem CID 26076417) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
PubChem CID26076417
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cnc2[nH]ccc2c1Cl
InChIInChI=1S/C8H7ClN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKeyVAHOYWJOMYELTR-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine (CID 26076417) is 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine is COc1cnc2[nH]ccc2c1Cl.
What is the InChIKey of 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VAHOYWJOMYELTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11).
What are the key properties of 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine?
4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 182.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 26076417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).