1-benzyl-6-chloropyrrolo[3,2-c]pyridine

C14H11ClN2 — CID 166174008

IUPAC1-benzyl-6-chloropyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2Cc2ccccc2)cn1
InChIInChI=1S/C14H11ClN2/c15-14-8-13-12(9-16-14)6-7-17(13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLSGFGCFDWFSWGG-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

About 1-benzyl-6-chloropyrrolo[3,2-c]pyridine

1-benzyl-6-chloropyrrolo[3,2-c]pyridine (PubChem CID 166174008) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 1-benzyl-6-chloropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-6-chloropyrrolo[3,2-c]pyridine
PubChem CID166174008
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name1-benzyl-6-chloropyrrolo[3,2-c]pyridine
SMILESClc1cc2c(ccn2Cc2ccccc2)cn1
InChIInChI=1S/C14H11ClN2/c15-14-8-13-12(9-16-14)6-7-17(13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyLSGFGCFDWFSWGG-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzylindol-6-amine
CID 69325204
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
2-[1-[(6-chloro-3-pyridinyl)methyl]indol-6-yl]acetic acid
CID 86707249
6-chloro-1-pyrimidin-2-ylpyrrolo[3,2-c]pyridine
CID 126698239
5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one
CID 172555857
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
1-[(2-chlorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87265967
2-(1-benzylindol-5-yl)ethanethiol
CID 143923933
1-benzyl-5-ethenylindole
CID 71373149
(1-benzylindol-5-yl)boronic acid
CID 134128465
2-benzyl-6-chloro-1,3-dihydropyrrolo[3,4-c]pyridine
CID 154963782

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-6-chloropyrrolo[3,2-c]pyridine (CID 166174008) is 1-benzyl-6-chloropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-6-chloropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-6-chloropyrrolo[3,2-c]pyridine is Clc1cc2c(ccn2Cc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-6-chloropyrrolo[3,2-c]pyridine?
The InChIKey is LSGFGCFDWFSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-14-8-13-12(9-16-14)6-7-17(13)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-6-chloropyrrolo[3,2-c]pyridine?
1-benzyl-6-chloropyrrolo[3,2-c]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 166174008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).