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

C8H7ClN2 — CID 11030208

IUPAC5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2cc[nH]c12
InChIInChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2-4,10H,1H3
InChIKeyFHZBSORNJHMVPY-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine

5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 11030208) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID11030208
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2cc[nH]c12
InChIInChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2-4,10H,1H3
InChIKeyFHZBSORNJHMVPY-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine (CID 11030208) is 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine is Cc1cc(Cl)nc2cc[nH]c12.
What is the InChIKey of 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is FHZBSORNJHMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2-4,10H,1H3.
What are the key properties of 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine?
5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11030208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).