3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole

C19H12BrClN2 — CID 140713295

IUPAC3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole
SMILESClc1cnc(Br)cc1-c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H12BrClN2/c20-19-10-15(17(21)11-22-19)16-12-23(13-6-2-1-3-7-13)18-9-5-4-8-14(16)18/h1-12H
InChIKeyNHFLJJVLHYWNTF-UHFFFAOYSA-N
MW383.68 g/mol
LogP6.11
Rot. Bonds2

About 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole

3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole (PubChem CID 140713295) has the molecular formula C19H12BrClN2 and a molecular weight of 383.68 g/mol. Its IUPAC name is 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole.

Molecular Properties

Compound Name3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole
PubChem CID140713295
Molecular FormulaC19H12BrClN2
Molecular Weight383.68 g/mol
Exact Mass381.99
IUPAC Name3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole
SMILESClc1cnc(Br)cc1-c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H12BrClN2/c20-19-10-15(17(21)11-22-19)16-12-23(13-6-2-1-3-7-13)18-9-5-4-8-14(16)18/h1-12H
InChIKeyNHFLJJVLHYWNTF-UHFFFAOYSA-N
XLogP6.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.68
LogP ≤ 56.11
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

9-[2-[3-(2-carbazol-9-ylphenyl)-1-phenylindol-5-yl]phenyl]carbazole
CID 58121778
1-phenyl-3-[2-(1-phenylindol-3-yl)thieno[3,2-e][1]benzothiol-7-yl]indole
CID 59356860
trans-(1R,3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 129292951
3-(3-bromophenyl)-1-pyridin-4-ylindole
CID 137385190
(3R)-3-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]cyclohexan-1-one
CID 129292952
1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791
3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
1-phenyl-3-pyridin-2-ylpyrrolo[2,3-c]pyridine
CID 144659291
2-bromo-4,5-diphenylpyridine
CID 118667529
5-chloro-N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-4-(1-phenylindol-3-yl)pyrimidin-2-amine
CID 167375990
4-amino-N-[6-[[5-chloro-4-(1-phenylindol-3-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]benzamide
CID 122537868
3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole?
The IUPAC name of 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole (CID 140713295) is 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole.
What is the SMILES notation for 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole?
The canonical SMILES for 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole is Clc1cnc(Br)cc1-c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole?
The InChIKey is NHFLJJVLHYWNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClN2/c20-19-10-15(17(21)11-22-19)16-12-23(13-6-2-1-3-7-13)18-9-5-4-8-14(16)18/h1-12H.
What are the key properties of 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole?
3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole has a molecular weight of 383.68 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloro-4-pyridinyl)-1-phenylindole is sourced from PubChem (CID 140713295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).