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

C17H17BrN2 — CID 10758707

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccnc2c1ccn2-c1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H17BrN2/c1-11(2)13-4-5-16(15(18)10-13)20-9-7-14-12(3)6-8-19-17(14)20/h4-11H,1-3H3
InChIKeyVUZACCWXHJGWCM-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.22
Rot. Bonds2

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

1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine (PubChem CID 10758707) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine
PubChem CID10758707
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine
SMILESCc1ccnc2c1ccn2-c1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H17BrN2/c1-11(2)13-4-5-16(15(18)10-13)20-9-7-14-12(3)6-8-19-17(14)20/h4-11H,1-3H3
InChIKeyVUZACCWXHJGWCM-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Bromophenyl)imidazo[1,2-a]pyridine
CID 623416
2-(4-Bromophenyl)-6-methylimidazo[1,2-a]pyridine
CID 837893
2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridine
CID 717644
2-(4-Bromophenyl)-3-methylimidazo[1,2-a]pyridine
CID 852495
[9-(2-Bromo-4-isopropyl-phenyl)-2,8-dimethyl-9H-purin-6-yl]-butyl-ethyl-amine
CID 10694584
6-(4-(dimethylamino)benzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444216
2-(tert-butyl)-1-(3-fluorobenzyl)-1H-pyrrolo[2,3-b]pyridine
CID 1488065
[4-(6-Bromo-imidazo[1,2-a]pyridin-2-yl)-phenyl]-dimethyl-amine
CID 9839907
1-(2-Bromo-4-isopropylphenyl)-4,6-dimethyl-7-azaindole
CID 10497535
1-(2-Bromo-4-isopropylphenyl)-3-cyano-6-methyl-4-phenyl-7-azaindole
CID 10502734
1-(2-Bromo-4-isopropyl-phenyl)-4-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 10644018
1-(2-Bromo-4-isopropylphenyl)-6-chloro-4-methyl-7-azaindole
CID 10666432

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine (CID 10758707) is 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine is Cc1ccnc2c1ccn2-c1ccc(C(C)C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine?
The InChIKey is VUZACCWXHJGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-11(2)13-4-5-16(15(18)10-13)20-9-7-14-12(3)6-8-19-17(14)20/h4-11H,1-3H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine?
1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine has a molecular weight of 329.24 g/mol, XLogP of 5.22, 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-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10758707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).