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

C8H9ClN2 — CID 118491770

IUPAC6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C8H9ClN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3
InChIKeyNQWLHIFCBLNDDY-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.44
Rot. Bonds

About 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118491770) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118491770
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C8H9ClN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3
InChIKeyNQWLHIFCBLNDDY-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118491770) is 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2N=CC(Cl)=CC2N1.
What is the InChIKey of 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is NQWLHIFCBLNDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3.
What are the key properties of 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-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 6-chloro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118491770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).