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

C10H15ClN2 — CID 171654971

IUPAC3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C8H9ClN2.C2H6/c1-5-2-6-7(9)4-11-8(6)10-3-5;1-2/h2-4,6,8,11H,1H3;1-2H3
InChIKeyMHQFVGNYNBUWEX-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.67
Rot. Bonds

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

3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane (PubChem CID 171654971) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
PubChem CID171654971
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.CC1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C8H9ClN2.C2H6/c1-5-2-6-7(9)4-11-8(6)10-3-5;1-2/h2-4,6,8,11H,1H3;1-2H3
InChIKeyMHQFVGNYNBUWEX-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 166712707
4-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89111961
5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89270031
(7aR)-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 166966760
3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 171654967
5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 171758127
3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 176929256
(3Z,5Z,8E)-8-chloro-5-ethyl-7-methylidene-1,2-dihydro-1,3-diazonine
CID 153392430

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane (CID 171654971) is 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane is CC.CC1=CC2C(Cl)=CNC2N=C1.
What is the InChIKey of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The InChIKey is MHQFVGNYNBUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2.C2H6/c1-5-2-6-7(9)4-11-8(6)10-3-5;1-2/h2-4,6,8,11H,1H3;1-2H3.
What are the key properties of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane has a molecular weight of 198.70 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 171654971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).