5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine

C19H12ClN3 — CID 12038530

IUPAC5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine
SMILESClc1nccc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C19H12ClN3/c20-19-18-15(11-12-21-19)22-16(13-7-3-1-4-8-13)17(23-18)14-9-5-2-6-10-14/h1-12H
InChIKeyRSIDQPUYRXURGG-UHFFFAOYSA-N
MW317.78 g/mol
LogP5.01
Rot. Bonds2

About 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine

5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine (PubChem CID 12038530) has the molecular formula C19H12ClN3 and a molecular weight of 317.78 g/mol. Its IUPAC name is 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine
PubChem CID12038530
Molecular FormulaC19H12ClN3
Molecular Weight317.78 g/mol
Exact Mass317.07
IUPAC Name5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine
SMILESClc1nccc2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C19H12ClN3/c20-19-18-15(11-12-21-19)22-16(13-7-3-1-4-8-13)17(23-18)14-9-5-2-6-10-14/h1-12H
InChIKeyRSIDQPUYRXURGG-UHFFFAOYSA-N
XLogP5.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.78
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-phenylbenzo[c][2,7]naphthyridine
CID 10446974
5-chloro-2-phenyl-1,6-naphthyridine
CID 97181185
5-chloro-2-(4-chlorophenyl)-3-phenyl-1,6-naphthyridine;methanamine
CID 87574008
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
2-chloro-5-methyl-3-phenylquinoxaline
CID 86730310
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577
5-chloro-2-(4-cyclopropylphenyl)-3-phenyl-1,6-naphthyridine
CID 87574586
1-(8-chloro-2-phenyl-1,5-naphthyridin-3-yl)ethanamine
CID 121259640
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
CID 58524603
[1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropyl]azanium chloride
CID 86659516

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine?
The IUPAC name of 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine (CID 12038530) is 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine is Clc1nccc2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine?
The InChIKey is RSIDQPUYRXURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3/c20-19-18-15(11-12-21-19)22-16(13-7-3-1-4-8-13)17(23-18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine?
5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine has a molecular weight of 317.78 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-diphenylpyrido[3,4-b]pyrazine is sourced from PubChem (CID 12038530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).