2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine

C11H13ClN2 — CID 153286800

IUPAC2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1cc2cncc(Cl)c2[nH]1
InChIInChI=1S/C11H13ClN2/c1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9/h4-6,14H,1-3H3
InChIKeyIIIDPUFZGAAAQO-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.51
Rot. Bonds

About 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine

2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 153286800) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine
PubChem CID153286800
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1cc2cncc(Cl)c2[nH]1
InChIInChI=1S/C11H13ClN2/c1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9/h4-6,14H,1-3H3
InChIKeyIIIDPUFZGAAAQO-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine (CID 153286800) is 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1cc2cncc(Cl)c2[nH]1.
What is the InChIKey of 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is IIIDPUFZGAAAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9/h4-6,14H,1-3H3.
What are the key properties of 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine?
2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 208.69 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 153286800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).