5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C8H9ClN2 — CID 143711961

IUPAC5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2c1=CC(Cl)CN=2
InChIInChI=1S/C8H9ClN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-3,6H,4H2,1H3,(H,10,11)
InChIKeyYBZDBRACBYANEW-UHFFFAOYSA-N
MW168.63 g/mol
LogP0.34
Rot. Bonds

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

5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143711961) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID143711961
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2c1=CC(Cl)CN=2
InChIInChI=1S/C8H9ClN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-3,6H,4H2,1H3,(H,10,11)
InChIKeyYBZDBRACBYANEW-UHFFFAOYSA-N
XLogP0.34
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3,5-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124026877
5-chloro-4-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 88569346
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89259806
5-chloro-6-iodo-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89260631
(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89260859
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
4-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 124190153
4,5-Dimethyl-2,7-dihydropyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 136204785
5-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143384775
5-Chloro-1,5,6,7-tetrahydropyrrolo[2,3-b]azepine
CID 143712040
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
CID 143712066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 143711961) is 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2c1=CC(Cl)CN=2.
What is the InChIKey of 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YBZDBRACBYANEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-3-10-8-7(5)2-6(9)4-11-8/h2-3,6H,4H2,1H3,(H,10,11).
What are the key properties of 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 168.63 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143711961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).