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

C9H13ClN2 — CID 143712066

IUPAC5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.ClC1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2.C2H6/c8-6-3-5-1-2-9-7(5)10-4-6;1-2/h1-3,6H,4H2,(H,9,10);1-2H3
InChIKeyATGXHSHXFHBICS-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.06
Rot. Bonds

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

5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane (PubChem CID 143712066) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
PubChem CID143712066
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane
SMILESCC.ClC1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2.C2H6/c8-6-3-5-1-2-9-7(5)10-4-6;1-2/h1-3,6H,4H2,(H,9,10);1-2H3
InChIKeyATGXHSHXFHBICS-UHFFFAOYSA-N
XLogP1.06
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.06
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

5,6-Dihydro-7-azaindole
CID 70639991
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
(3Z)-N-methyl-3-prop-2-enylidene-1H-pyrrol-2-imine
CID 136437877
(3E)-3-(1-chloro-3-methylidenepentylidene)-N-methyl-1H-pyrrol-2-imine
CID 137299626
(3Z)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 137494238
6-fluoro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
CID 142308839

Frequently Asked Questions

What is the IUPAC name of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The IUPAC name of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane (CID 143712066) is 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane.
What is the SMILES notation for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The canonical SMILES for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane is CC.ClC1C=c2cc[nH]c2=NC1.
What is the InChIKey of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
The InChIKey is ATGXHSHXFHBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2.C2H6/c8-6-3-5-1-2-9-7(5)10-4-6;1-2/h1-3,6H,4H2,(H,9,10);1-2H3.
What are the key properties of 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane?
5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane has a molecular weight of 184.67 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine;ethane is sourced from PubChem (CID 143712066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).