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

C8H9ClN2 — CID 143712549

IUPAC(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC[C@@H]1C=c2cc[nH]c2=NC1
InChIInChI=1S/C8H9ClN2/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,6H,4-5H2,(H,10,11)/t6-/m0/s1
InChIKeyWWIUPYWLOQWGRC-LURJTMIESA-N
MW168.63 g/mol
LogP0.28
Rot. Bonds1

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

(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 143712549) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID143712549
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESClC[C@@H]1C=c2cc[nH]c2=NC1
InChIInChI=1S/C8H9ClN2/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,6H,4-5H2,(H,10,11)/t6-/m0/s1
InChIKeyWWIUPYWLOQWGRC-LURJTMIESA-N
XLogP0.28
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 50.28
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-(cyclohexen-1-yl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 68041461
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
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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
2-[(3E)-4-chloropenta-1,3-dien-2-yl]-1,4-dihydropyrimidine
CID 123798047
(3E)-3-(1-chloro-3-methylidenepentylidene)-N-methyl-1H-pyrrol-2-imine
CID 137299626
5-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143384775
5-chloro-3-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 143711961
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 (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 143712549) is (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is ClC[C@@H]1C=c2cc[nH]c2=NC1.
What is the InChIKey of (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WWIUPYWLOQWGRC-LURJTMIESA-N. The full InChI is InChI=1S/C8H9ClN2/c9-4-6-3-7-1-2-10-8(7)11-5-6/h1-3,6H,4-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
(5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 168.63 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(chloromethyl)-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 143712549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).