2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine

C9H9ClN2 — CID 150028153

IUPAC2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cncc2cc(Cl)n(C)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-11-5-7-3-8(10)12(2)9(6)7/h3-5H,1-2H3
InChIKeyDGRILAOXCTWXMK-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine

2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine (PubChem CID 150028153) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine
PubChem CID150028153
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine
SMILESCc1cncc2cc(Cl)n(C)c12
InChIInChI=1S/C9H9ClN2/c1-6-4-11-5-7-3-8(10)12(2)9(6)7/h3-5H,1-2H3
InChIKeyDGRILAOXCTWXMK-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine?
The IUPAC name of 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine (CID 150028153) is 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine is Cc1cncc2cc(Cl)n(C)c12.
What is the InChIKey of 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine?
The InChIKey is DGRILAOXCTWXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-4-11-5-7-3-8(10)12(2)9(6)7/h3-5H,1-2H3.
What are the key properties of 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine?
2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,7-dimethylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 150028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).