5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine

C13H10BrClN4 — CID 84611350

IUPAC5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2cccnc2)c2c(Br)c(Cl)n(C)c2n1
InChIInChI=1S/C13H10BrClN4/c1-7-17-11(8-4-3-5-16-6-8)9-10(14)12(15)19(2)13(9)18-7/h3-6H,1-2H3
InChIKeyVJTDRSKBLJSISY-UHFFFAOYSA-N
MW337.61 g/mol
LogP3.75
Rot. Bonds1

About 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine

5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 84611350) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine
PubChem CID84611350
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine
SMILESCc1nc(-c2cccnc2)c2c(Br)c(Cl)n(C)c2n1
InChIInChI=1S/C13H10BrClN4/c1-7-17-11(8-4-3-5-16-6-8)9-10(14)12(15)19(2)13(9)18-7/h3-6H,1-2H3
InChIKeyVJTDRSKBLJSISY-UHFFFAOYSA-N
XLogP3.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-1,5-dimethylpyrazol-3-yl)pyridine
CID 83728159
3-[4-bromo-1-(2-chloroethyl)-5-methylpyrazol-3-yl]pyridine
CID 121211526
3-methyl-2-phenyl-5-pyridin-3-ylimidazol-4-amine
CID 55048938
2-(4-bromo-5-methyl-3-pyridin-3-ylpyrazol-1-yl)ethanamine
CID 83665733
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
8-chloro-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 82530652
5-methyl-3-pyridin-3-yl-1H-pyrazolo[4,3-d]pyrimidine
CID 134337598
1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068140
8-bromo-3,6-dimethyl-2-pyridin-3-ylquinazolin-4-one
CID 169155249
3-(2,3-dimethylimidazol-4-yl)pyridine
CID 44549702
6-methyl-2,3-dipyridin-3-ylpyridine
CID 46316604
8-bromo-2-pyridin-3-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 82060473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine (CID 84611350) is 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine is Cc1nc(-c2cccnc2)c2c(Br)c(Cl)n(C)c2n1.
What is the InChIKey of 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is VJTDRSKBLJSISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c1-7-17-11(8-4-3-5-16-6-8)9-10(14)12(15)19(2)13(9)18-7/h3-6H,1-2H3.
What are the key properties of 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine?
5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 337.61 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2,7-dimethyl-4-pyridin-3-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84611350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).