2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine

C14H13ClN2 — CID 154963782

IUPAC2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESClc1cc2c(cn1)CN(Cc1ccccc1)C2
InChIInChI=1S/C14H13ClN2/c15-14-6-12-9-17(10-13(12)7-16-14)8-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyKIPOXGQQTPOBBG-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.25
Rot. Bonds2

About 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine

2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine (PubChem CID 154963782) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
PubChem CID154963782
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
SMILESClc1cc2c(cn1)CN(Cc1ccccc1)C2
InChIInChI=1S/C14H13ClN2/c15-14-6-12-9-17(10-13(12)7-16-14)8-11-4-2-1-3-5-11/h1-7H,8-10H2
InChIKeyKIPOXGQQTPOBBG-UHFFFAOYSA-N
XLogP3.25
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-chloro-4-methyl-3,4-dihydro-1H-2,7-naphthyridine
CID 169082451
6-chloro-2-[(2,4-dimethoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine
CID 71817812
6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54213695
2-benzyl-5-fluoro-1,3-dihydroisoindole;hydrochloride
CID 162343848
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
6-benzyl-2-chloro-8-methylidene-5,7-dihydro-1,6-naphthyridine
CID 59538692
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-6-chloropyrrolo[3,2-c]pyridine
CID 166174008
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
CID 130972580
CID 123628818
CID 123628818
2-benzyl-6-chloro-1,3-dihydroisoquinolin-4-one
CID 13272466
2-benzyl-4-bromo-1,3-dihydroisoindole;hydrochloride
CID 57431190

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine (CID 154963782) is 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine is Clc1cc2c(cn1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine?
The InChIKey is KIPOXGQQTPOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-14-6-12-9-17(10-13(12)7-16-14)8-11-4-2-1-3-5-11/h1-7H,8-10H2.
What are the key properties of 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine?
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine has a molecular weight of 244.73 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 154963782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).