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

C8H9ClN2 — CID 118491698

IUPAC5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(Cl)C=CC2N1
InChIInChI=1S/C8H9ClN2/c1-5-4-7-6(10-5)2-3-8(9)11-7/h2-4,6-7,10H,1H3
InChIKeyBMZPKLRMFKBKSB-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.44
Rot. Bonds

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

5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118491698) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118491698
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=C(Cl)C=CC2N1
InChIInChI=1S/C8H9ClN2/c1-5-4-7-6(10-5)2-3-8(9)11-7/h2-4,6-7,10H,1H3
InChIKeyBMZPKLRMFKBKSB-UHFFFAOYSA-N
XLogP1.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6-fluoro-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 117611844
5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489346
6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118491774
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-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 118489359
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118491698) is 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2N=C(Cl)C=CC2N1.
What is the InChIKey of 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is BMZPKLRMFKBKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-4-7-6(10-5)2-3-8(9)11-7/h2-4,6-7,10H,1H3.
What are the key properties of 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 168.63 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118491698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).