6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine

C27H22Br2ClN5 — CID 157354685

IUPAC6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine
SMILESBrc1ccc2c(c1)CN=C2.Cc1ccnc(-n2ncc3ccc(Br)cc32)c1.Cc1ccnc(Cl)c1
InChIInChI=1S/C13H10BrN3.C8H6BrN.C6H6ClN/c1-9-4-5-15-13(6-9)17-12-7-11(14)3-2-10(12)8-16-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-2-3-8-6(7)4-5/h2-8H,1H3;1-4H,5H2;2-4H,1H3
InChIKeyBHYDTBOAPQVEGH-UHFFFAOYSA-N
MW611.77 g/mol
LogP7.92
Rot. Bonds1

About 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine

6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine (PubChem CID 157354685) has the molecular formula C27H22Br2ClN5 and a molecular weight of 611.77 g/mol. Its IUPAC name is 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine.

Molecular Properties

Compound Name6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine
PubChem CID157354685
Molecular FormulaC27H22Br2ClN5
Molecular Weight611.77 g/mol
Exact Mass608.99
IUPAC Name6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine
SMILESBrc1ccc2c(c1)CN=C2.Cc1ccnc(-n2ncc3ccc(Br)cc32)c1.Cc1ccnc(Cl)c1
InChIInChI=1S/C13H10BrN3.C8H6BrN.C6H6ClN/c1-9-4-5-15-13(6-9)17-12-7-11(14)3-2-10(12)8-16-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-2-3-8-6(7)4-5/h2-8H,1H3;1-4H,5H2;2-4H,1H3
InChIKeyBHYDTBOAPQVEGH-UHFFFAOYSA-N
XLogP7.92
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.77
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093259
4-Bromo-2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593608
5-Bromo-2-chloro-14-phenyl-9,13,14,16-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 71593629
2-Bromo-9-[4-(1,2,4-triazol-1-yl)pyrimidin-2-yl]carbazole
CID 172444616
8-Bromo-3-(3,3-dimethylindol-2-yl)pyrimido[1,2-b]indazole
CID 172445697
1-(5-Bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
CID 89914418
2-(5-Bromo-6-fluoro-2-pyridinyl)-6-chloropyrazolo[4,3-c]pyridine
CID 90022008
2-(3-Bromo-6-chloro-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 150932240
6-bromo-1H-isoindole;6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-chloro-6-(trifluoromethyl)pyridine
CID 157525699
(4-Bromo-2-methylphenyl)methanimine;6-bromo-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-chloro-6-(trifluoromethyl)pyridine
CID 158792863
6-bromo-1H-isoindole;6-bromo-1-[4-(trifluoromethyl)pyrimidin-2-yl]indazole;2-chloro-4-(trifluoromethyl)pyrimidine
CID 161484346
5-Bromo-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]indazole
CID 86164506

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine?
The IUPAC name of 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine (CID 157354685) is 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine.
What is the SMILES notation for 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine?
The canonical SMILES for 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine is Brc1ccc2c(c1)CN=C2.Cc1ccnc(-n2ncc3ccc(Br)cc32)c1.Cc1ccnc(Cl)c1.
What is the InChIKey of 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine?
The InChIKey is BHYDTBOAPQVEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3.C8H6BrN.C6H6ClN/c1-9-4-5-15-13(6-9)17-12-7-11(14)3-2-10(12)8-16-17;9-8-2-1-6-4-10-5-7(6)3-8;1-5-2-3-8-6(7)4-5/h2-8H,1H3;1-4H,5H2;2-4H,1H3.
What are the key properties of 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine?
6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine has a molecular weight of 611.77 g/mol, XLogP of 7.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-isoindole;6-bromo-1-(4-methyl-2-pyridinyl)indazole;2-chloro-4-methylpyridine is sourced from PubChem (CID 157354685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).