2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H15ClN2 — CID 70821918

IUPAC2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cc2c([nH]1)=NCCC=2Cl
InChIInChI=1S/C11H15ClN2/c1-11(2,3)9-6-7-8(12)4-5-13-10(7)14-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyAFTJRTXRRHJWMJ-UHFFFAOYSA-N
MW210.71 g/mol
LogP1.68
Rot. Bonds

About 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70821918) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID70821918
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)c1cc2c([nH]1)=NCCC=2Cl
InChIInChI=1S/C11H15ClN2/c1-11(2,3)9-6-7-8(12)4-5-13-10(7)14-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyAFTJRTXRRHJWMJ-UHFFFAOYSA-N
XLogP1.68
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308844
ethane;2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 142309213
(3Z)-N-(1-chloroethyl)-3-ethylidene-5-methyl-1H-pyrrol-2-imine
CID 173891239
2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142308845

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 70821918) is 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)c1cc2c([nH]1)=NCCC=2Cl.
What is the InChIKey of 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is AFTJRTXRRHJWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2,3)9-6-7-8(12)4-5-13-10(7)14-9/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 210.71 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70821918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).