5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine

C13H9ClN2 — CID 11481594

IUPAC5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
SMILESClc1cc2c(-c3ccccc3)c[nH]c2cn1
InChIInChI=1S/C13H9ClN2/c14-13-6-10-11(7-15-12(10)8-16-13)9-4-2-1-3-5-9/h1-8,15H
InChIKeyNASXQESGPXKPGM-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

About 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine

5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine (PubChem CID 11481594) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
PubChem CID11481594
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
SMILESClc1cc2c(-c3ccccc3)c[nH]c2cn1
InChIInChI=1S/C13H9ClN2/c14-13-6-10-11(7-15-12(10)8-16-13)9-4-2-1-3-5-9/h1-8,15H
InChIKeyNASXQESGPXKPGM-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 45380817
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
(5-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl) cyanate
CID 153389436
2-chloro-5-phenylpyrazine
CID 1236664
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
5-chloro-N-methyl-3-phenylpyridin-2-amine
CID 71419403
3-pyridin-4-yl-1H-indole
CID 159430533
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine (CID 11481594) is 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine is Clc1cc2c(-c3ccccc3)c[nH]c2cn1.
What is the InChIKey of 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is NASXQESGPXKPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-13-6-10-11(7-15-12(10)8-16-13)9-4-2-1-3-5-9/h1-8,15H.
What are the key properties of 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine?
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 11481594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).