6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine

C19H13ClN2 — CID 45380817

IUPAC6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2cn1
InChIInChI=1S/C19H13ClN2/c20-17-11-16-15(12-21-17)18(13-7-3-1-4-8-13)19(22-16)14-9-5-2-6-10-14/h1-12,22H
InChIKeyRRUARYIVLRFVDM-UHFFFAOYSA-N
MW304.78 g/mol
LogP5.55
Rot. Bonds2

About 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine

6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 45380817) has the molecular formula C19H13ClN2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
PubChem CID45380817
Molecular FormulaC19H13ClN2
Molecular Weight304.78 g/mol
Exact Mass304.08
IUPAC Name6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
SMILESClc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2cn1
InChIInChI=1S/C19H13ClN2/c20-17-11-16-15(12-21-17)18(13-7-3-1-4-8-13)19(22-16)14-9-5-2-6-10-14/h1-12,22H
InChIKeyRRUARYIVLRFVDM-UHFFFAOYSA-N
XLogP5.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.78
LogP ≤ 55.55
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

2-methyl-6,7-diphenyl-1,5-dihydropyrrolo[2,3-f]benzimidazole
CID 15249942
2-chloro-3,4,5-triphenyl-1H-pyrrole
CID 174984725
5-chloro-3-phenyl-1H-pyrrolo[2,3-c]pyridine
CID 11481594
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
15,16-diphenyl-2-oxa-10,14-diazatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,15,17-octaene
CID 15249941
7-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 53343031
7-chloro-2,4-diphenyl-1,6-naphthyridine
CID 87409632
4-bromo-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine
CID 53342844
4-(2-phenyl-1H-indol-3-yl)benzonitrile
CID 12065987
2-chloro-5-phenylpyrazine
CID 1236664

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine (CID 45380817) is 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is Clc1cc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2cn1.
What is the InChIKey of 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is RRUARYIVLRFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2/c20-17-11-16-15(12-21-17)18(13-7-3-1-4-8-13)19(22-16)14-9-5-2-6-10-14/h1-12,22H.
What are the key properties of 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine?
6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 304.78 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-diphenyl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 45380817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).