4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine

C8H7ClN2 — CID 53412838

IUPAC4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4,11H,1H3
InChIKeyGZRNWDOHXHJRDZ-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine

4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 53412838) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID53412838
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc2c(Cl)nccc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4,11H,1H3
InChIKeyGZRNWDOHXHJRDZ-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 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine (CID 53412838) is 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine is Cc1cc2c(Cl)nccc2[nH]1.
What is the InChIKey of 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is GZRNWDOHXHJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-4-6-7(11-5)2-3-10-8(6)9/h2-4,11H,1H3.
What are the key properties of 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine?
4-chloro-2-methyl-1H-pyrrolo[3,2-c]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 4-chloro-2-methyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53412838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).