6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C12H14ClN3 — CID 57340744

IUPAC6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2cc(CC3CCCN3)[nH]c2n1
InChIInChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
InChIKeyLJIQRYQTOONAEE-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.51
Rot. Bonds2

About 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 57340744) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID57340744
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2cc(CC3CCCN3)[nH]c2n1
InChIInChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16)
InChIKeyLJIQRYQTOONAEE-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(piperidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 170352618
4-amino-6-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-2-one
CID 83857342
2,5-dichloro-6-(piperidin-2-ylmethyl)quinoline
CID 117475770
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
CID 82655511
6-chloro-2-fluoro-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 177332339
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
3-chloro-5-(pyrrolidin-2-ylmethyl)pyridine
CID 115008960
3-chloro-6-[[(2S)-pyrrolidin-2-yl]methylsulfonyl]pyridazine
CID 97163642
6-(pyrrolidin-2-ylmethyl)-1H-indole
CID 10198107
3-chloro-5-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole
CID 84660804

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 57340744) is 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is Clc1ccc2cc(CC3CCCN3)[nH]c2n1.
What is the InChIKey of 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LJIQRYQTOONAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-4-3-8-6-10(15-12(8)16-11)7-9-2-1-5-14-9/h3-4,6,9,14H,1-2,5,7H2,(H,15,16).
What are the key properties of 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(pyrrolidin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 57340744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).