1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine

C18H19BrN2 — CID 10497535

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3
InChIKeyQFPQNRRUWQDVHQ-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.53
Rot. Bonds2

About 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine

1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine (PubChem CID 10497535) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
PubChem CID10497535
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3
InChIKeyQFPQNRRUWQDVHQ-UHFFFAOYSA-N
XLogP5.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine (CID 10497535) is 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine is Cc1cc(C)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
The InChIKey is QFPQNRRUWQDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c1-11(2)14-5-6-17(16(19)10-14)21-8-7-15-12(3)9-13(4)20-18(15)21/h5-11H,1-4H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine?
1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine has a molecular weight of 343.27 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-4,6-dimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10497535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).