1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine

C9H9ClN2 — CID 141136088

IUPAC1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cl)c2cnccc12
InChIInChI=1S/C9H9ClN2/c1-6-7(2)12(10)9-5-11-4-3-8(6)9/h3-5H,1-2H3
InChIKeyZEYVMSNXEPTSIU-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.66
Rot. Bonds

About 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine

1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 141136088) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID141136088
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cl)c2cnccc12
InChIInChI=1S/C9H9ClN2/c1-6-7(2)12(10)9-5-11-4-3-8(6)9/h3-5H,1-2H3
InChIKeyZEYVMSNXEPTSIU-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 141136088) is 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cl)c2cnccc12.
What is the InChIKey of 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is ZEYVMSNXEPTSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-7(2)12(10)9-5-11-4-3-8(6)9/h3-5H,1-2H3.
What are the key properties of 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine?
1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).