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

C9H9ClN2 — CID 71412051

IUPAC4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1[nH]c2ccnc(Cl)c2c1C
InChIInChI=1S/C9H9ClN2/c1-5-6(2)12-7-3-4-11-9(10)8(5)7/h3-4,12H,1-2H3
InChIKeyWPJWHKZVPLCYFL-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.83
Rot. Bonds

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

4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 71412051) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID71412051
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine
SMILESCc1[nH]c2ccnc(Cl)c2c1C
InChIInChI=1S/C9H9ClN2/c1-5-6(2)12-7-3-4-11-9(10)8(5)7/h3-4,12H,1-2H3
InChIKeyWPJWHKZVPLCYFL-UHFFFAOYSA-N
XLogP2.83
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.83
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-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine (CID 71412051) is 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine is Cc1[nH]c2ccnc(Cl)c2c1C.
What is the InChIKey of 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is WPJWHKZVPLCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-5-6(2)12-7-3-4-11-9(10)8(5)7/h3-4,12H,1-2H3.
What are the key properties of 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine?
4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 71412051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).