(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C7H7ClN2 — CID 89260859

IUPAC(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCl[C@@H]1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10)/t6-/m1/s1
InChIKeyMVCIBAOYJGAUKS-ZCFIWIBFSA-N
MW154.60 g/mol
LogP0.04
Rot. Bonds

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

(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89260859) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89260859
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCl[C@@H]1C=c2cc[nH]c2=NC1
InChIInChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10)/t6-/m1/s1
InChIKeyMVCIBAOYJGAUKS-ZCFIWIBFSA-N
XLogP0.04
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 50.04
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

CID 70639991
CID 70639991
CID 142308840
CID 142308840
CID 88569346
CID 88569346
CID 89116539
CID 89116539
CID 89259806
CID 89259806
CID 89260631
CID 89260631
CID 123798047
CID 123798047
CID 142308839
CID 142308839
CID 143384775
CID 143384775
CID 143711961
CID 143711961
CID 143712040
CID 143712040
CID 143712066
CID 143712066

Frequently Asked Questions

What is the IUPAC name of (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 89260859) is (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is Cl[C@@H]1C=c2cc[nH]c2=NC1.
What is the InChIKey of (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MVCIBAOYJGAUKS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H7ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-3,6H,4H2,(H,9,10)/t6-/m1/s1.
What are the key properties of (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
(5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 154.60 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).