5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C10H13ClN2 — CID 118489359

IUPAC5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=C(Cl)C=CC2N1
InChIInChI=1S/C10H13ClN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3
InChIKeyMSVKPFZKAGCQOX-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.07
Rot. Bonds1

About 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489359) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489359
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=C(Cl)C=CC2N1
InChIInChI=1S/C10H13ClN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3
InChIKeyMSVKPFZKAGCQOX-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489342
5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489346
5-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491786
2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 23545925
2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489343
6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489348
5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489357
5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491698
6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491770
2,5-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491776
2-ethyl-5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493380
6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118493383

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489359) is 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC(C)C1=CC2N=C(Cl)C=CC2N1.
What is the InChIKey of 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is MSVKPFZKAGCQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3.
What are the key properties of 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 196.68 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).